6-amino-2-(4-aminophenyl)-3H-quinazolin-4-one;2-(4-aminophenyl)-3H-benzimidazol-5-amine;2-(4-aminophenyl)-1,3-benzoxazol-6-amine;4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;2-(4-amino-2-pyridinyl)pyridin-4-amine;5-(1H-benzimidazol-2-yl)benzene-1,3-diamine;5-(1,3-benzoxazol-2-yl)benzene-1,3-diamine;9H-carbazole-3,6-diamine

C102H91N29O4 — CID 159609934

IUPAC6-amino-2-(4-aminophenyl)-3H-quinazolin-4-one;2-(4-aminophenyl)-3H-benzimidazol-5-amine;2-(4-aminophenyl)-1,3-benzoxazol-6-amine;4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;2-(4-amino-2-pyridinyl)pyridin-4-amine;5-(1H-benzimidazol-2-yl)benzene-1,3-diamine;5-(1,3-benzoxazol-2-yl)benzene-1,3-diamine;9H-carbazole-3,6-diamine
SMILESNc1cc(N)cc(-c2nc3ccccc3[nH]2)c1.Nc1cc(N)cc(-c2nc3ccccc3o2)c1.Nc1ccc(-c2nc3ccc(N)cc3[nH]2)cc1.Nc1ccc(-c2nc3ccc(N)cc3c(=O)[nH]2)cc1.Nc1ccc(-c2nc3ccc(N)cc3o2)cc1.Nc1ccc(-c2nnc(-c3ccc(N)cc3)o2)cc1.Nc1ccc2[nH]c3ccc(N)cc3c2c1.Nc1ccnc(-c2cc(N)ccn2)c1
InChIInChI=1S/2C14H12N4O.2C13H12N4.2C13H11N3O.C12H11N3.C10H10N4/c15-11-5-1-9(2-6-11)13-17-18-14(19-13)10-3-7-12(16)8-4-10;15-9-3-1-8(2-4-9)13-17-12-6-5-10(16)7-11(12)14(19)18-13;14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13;14-9-5-8(6-10(15)7-9)13-16-11-3-1-2-4-12(11)17-13;14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13;14-9-5-8(6-10(15)7-9)13-16-11-3-1-2-4-12(11)17-13;13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11;11-7-1-3-13-9(5-7)10-6-8(12)2-4-14-10/h1-8H,15-16H2;1-7H,15-16H2,(H,17,18,19);2*1-7H,14-15H2,(H,16,17);2*1-7H,14-15H2;1-6,15H,13-14H2;1-6H,(H2,11,13)(H2,12,14)
InChIKeyMMOCIHJNSMXPJP-UHFFFAOYSA-N
MW1787.05 g/mol
LogP18.22
Rot. Bonds8

About 6-amino-2-(4-aminophenyl)-3H-quinazolin-4-one;2-(4-aminophenyl)-3H-benzimidazol-5-amine;2-(4-aminophenyl)-1,3-benzoxazol-6-amine;4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;2-(4-amino-2-pyridinyl)pyridin-4-amine;5-(1H-benzimidazol-2-yl)benzene-1,3-diamine;5-(1,3-benzoxazol-2-yl)benzene-1,3-diamine;9H-carbazole-3,6-diamine

6-amino-2-(4-aminophenyl)-3H-quinazolin-4-one;2-(4-aminophenyl)-3H-benzimidazol-5-amine;2-(4-aminophenyl)-1,3-benzoxazol-6-amine;4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;2-(4-amino-2-pyridinyl)pyridin-4-amine;5-(1H-benzimidazol-2-yl)benzene-1,3-diamine;5-(1,3-benzoxazol-2-yl)benzene-1,3-diamine;9H-carbazole-3,6-diamine (PubChem CID 159609934) has the molecular formula C102H91N29O4 and a molecular weight of 1787.05 g/mol. Its IUPAC name is 6-amino-2-(4-aminophenyl)-3H-quinazolin-4-one;2-(4-aminophenyl)-3H-benzimidazol-5-amine;2-(4-aminophenyl)-1,3-benzoxazol-6-amine;4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;2-(4-amino-2-pyridinyl)pyridin-4-amine;5-(1H-benzimidazol-2-yl)benzene-1,3-diamine;5-(1,3-benzoxazol-2-yl)benzene-1,3-diamine;9H-carbazole-3,6-diamine.

Molecular Properties

Compound Name6-amino-2-(4-aminophenyl)-3H-quinazolin-4-one;2-(4-aminophenyl)-3H-benzimidazol-5-amine;2-(4-aminophenyl)-1,3-benzoxazol-6-amine;4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;2-(4-amino-2-pyridinyl)pyridin-4-amine;5-(1H-benzimidazol-2-yl)benzene-1,3-diamine;5-(1,3-benzoxazol-2-yl)benzene-1,3-diamine;9H-carbazole-3,6-diamine
PubChem CID159609934
Molecular FormulaC102H91N29O4
Molecular Weight1787.05 g/mol
Exact Mass1785.78
IUPAC Name6-amino-2-(4-aminophenyl)-3H-quinazolin-4-one;2-(4-aminophenyl)-3H-benzimidazol-5-amine;2-(4-aminophenyl)-1,3-benzoxazol-6-amine;4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;2-(4-amino-2-pyridinyl)pyridin-4-amine;5-(1H-benzimidazol-2-yl)benzene-1,3-diamine;5-(1,3-benzoxazol-2-yl)benzene-1,3-diamine;9H-carbazole-3,6-diamine
SMILESNc1cc(N)cc(-c2nc3ccccc3[nH]2)c1.Nc1cc(N)cc(-c2nc3ccccc3o2)c1.Nc1ccc(-c2nc3ccc(N)cc3[nH]2)cc1.Nc1ccc(-c2nc3ccc(N)cc3c(=O)[nH]2)cc1.Nc1ccc(-c2nc3ccc(N)cc3o2)cc1.Nc1ccc(-c2nnc(-c3ccc(N)cc3)o2)cc1.Nc1ccc2[nH]c3ccc(N)cc3c2c1.Nc1ccnc(-c2cc(N)ccn2)c1
InChIInChI=1S/2C14H12N4O.2C13H12N4.2C13H11N3O.C12H11N3.C10H10N4/c15-11-5-1-9(2-6-11)13-17-18-14(19-13)10-3-7-12(16)8-4-10;15-9-3-1-8(2-4-9)13-17-12-6-5-10(16)7-11(12)14(19)18-13;14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13;14-9-5-8(6-10(15)7-9)13-16-11-3-1-2-4-12(11)17-13;14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13;14-9-5-8(6-10(15)7-9)13-16-11-3-1-2-4-12(11)17-13;13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11;11-7-1-3-13-9(5-7)10-6-8(12)2-4-14-10/h1-8H,15-16H2;1-7H,15-16H2,(H,17,18,19);2*1-7H,14-15H2,(H,16,17);2*1-7H,14-15H2;1-6,15H,13-14H2;1-6H,(H2,11,13)(H2,12,14)
InChIKeyMMOCIHJNSMXPJP-UHFFFAOYSA-N
XLogP18.22
TPSA651.98 Ų
H-Bond Donors20
H-Bond Acceptors29
Rotatable Bonds8
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001787.05
LogP ≤ 518.22
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-amino-2-(4-aminophenyl)-3H-quinazolin-4-one;2-(4-aminophenyl)-3H-benzimidazol-5-amine;2-(4-aminophenyl)-1,3-benzoxazol-6-amine;4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;2-(4-amino-2-pyridinyl)pyridin-4-amine;5-(1H-benzimidazol-2-yl)benzene-1,3-diamine;5-(1,3-benzoxazol-2-yl)benzene-1,3-diamine;9H-carbazole-3,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(4-aminophenyl)-3H-quinazolin-4-one;2-(4-aminophenyl)-3H-benzimidazol-5-amine;2-(4-aminophenyl)-1,3-benzoxazol-6-amine;4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;2-(4-amino-2-pyridinyl)pyridin-4-amine;5-(1H-benzimidazol-2-yl)benzene-1,3-diamine;5-(1,3-benzoxazol-2-yl)benzene-1,3-diamine;9H-carbazole-3,6-diamine?
The IUPAC name of 6-amino-2-(4-aminophenyl)-3H-quinazolin-4-one;2-(4-aminophenyl)-3H-benzimidazol-5-amine;2-(4-aminophenyl)-1,3-benzoxazol-6-amine;4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;2-(4-amino-2-pyridinyl)pyridin-4-amine;5-(1H-benzimidazol-2-yl)benzene-1,3-diamine;5-(1,3-benzoxazol-2-yl)benzene-1,3-diamine;9H-carbazole-3,6-diamine (CID 159609934) is 6-amino-2-(4-aminophenyl)-3H-quinazolin-4-one;2-(4-aminophenyl)-3H-benzimidazol-5-amine;2-(4-aminophenyl)-1,3-benzoxazol-6-amine;4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;2-(4-amino-2-pyridinyl)pyridin-4-amine;5-(1H-benzimidazol-2-yl)benzene-1,3-diamine;5-(1,3-benzoxazol-2-yl)benzene-1,3-diamine;9H-carbazole-3,6-diamine.
What is the SMILES notation for 6-amino-2-(4-aminophenyl)-3H-quinazolin-4-one;2-(4-aminophenyl)-3H-benzimidazol-5-amine;2-(4-aminophenyl)-1,3-benzoxazol-6-amine;4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;2-(4-amino-2-pyridinyl)pyridin-4-amine;5-(1H-benzimidazol-2-yl)benzene-1,3-diamine;5-(1,3-benzoxazol-2-yl)benzene-1,3-diamine;9H-carbazole-3,6-diamine?
The canonical SMILES for 6-amino-2-(4-aminophenyl)-3H-quinazolin-4-one;2-(4-aminophenyl)-3H-benzimidazol-5-amine;2-(4-aminophenyl)-1,3-benzoxazol-6-amine;4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;2-(4-amino-2-pyridinyl)pyridin-4-amine;5-(1H-benzimidazol-2-yl)benzene-1,3-diamine;5-(1,3-benzoxazol-2-yl)benzene-1,3-diamine;9H-carbazole-3,6-diamine is Nc1cc(N)cc(-c2nc3ccccc3[nH]2)c1.Nc1cc(N)cc(-c2nc3ccccc3o2)c1.Nc1ccc(-c2nc3ccc(N)cc3[nH]2)cc1.Nc1ccc(-c2nc3ccc(N)cc3c(=O)[nH]2)cc1.Nc1ccc(-c2nc3ccc(N)cc3o2)cc1.Nc1ccc(-c2nnc(-c3ccc(N)cc3)o2)cc1.Nc1ccc2[nH]c3ccc(N)cc3c2c1.Nc1ccnc(-c2cc(N)ccn2)c1.
What is the InChIKey of 6-amino-2-(4-aminophenyl)-3H-quinazolin-4-one;2-(4-aminophenyl)-3H-benzimidazol-5-amine;2-(4-aminophenyl)-1,3-benzoxazol-6-amine;4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;2-(4-amino-2-pyridinyl)pyridin-4-amine;5-(1H-benzimidazol-2-yl)benzene-1,3-diamine;5-(1,3-benzoxazol-2-yl)benzene-1,3-diamine;9H-carbazole-3,6-diamine?
The InChIKey is MMOCIHJNSMXPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H12N4O.2C13H12N4.2C13H11N3O.C12H11N3.C10H10N4/c15-11-5-1-9(2-6-11)13-17-18-14(19-13)10-3-7-12(16)8-4-10;15-9-3-1-8(2-4-9)13-17-12-6-5-10(16)7-11(12)14(19)18-13;14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13;14-9-5-8(6-10(15)7-9)13-16-11-3-1-2-4-12(11)17-13;14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13;14-9-5-8(6-10(15)7-9)13-16-11-3-1-2-4-12(11)17-13;13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11;11-7-1-3-13-9(5-7)10-6-8(12)2-4-14-10/h1-8H,15-16H2;1-7H,15-16H2,(H,17,18,19);2*1-7H,14-15H2,(H,16,17);2*1-7H,14-15H2;1-6,15H,13-14H2;1-6H,(H2,11,13)(H2,12,14).
What are the key properties of 6-amino-2-(4-aminophenyl)-3H-quinazolin-4-one;2-(4-aminophenyl)-3H-benzimidazol-5-amine;2-(4-aminophenyl)-1,3-benzoxazol-6-amine;4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;2-(4-amino-2-pyridinyl)pyridin-4-amine;5-(1H-benzimidazol-2-yl)benzene-1,3-diamine;5-(1,3-benzoxazol-2-yl)benzene-1,3-diamine;9H-carbazole-3,6-diamine?
6-amino-2-(4-aminophenyl)-3H-quinazolin-4-one;2-(4-aminophenyl)-3H-benzimidazol-5-amine;2-(4-aminophenyl)-1,3-benzoxazol-6-amine;4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;2-(4-amino-2-pyridinyl)pyridin-4-amine;5-(1H-benzimidazol-2-yl)benzene-1,3-diamine;5-(1,3-benzoxazol-2-yl)benzene-1,3-diamine;9H-carbazole-3,6-diamine has a molecular weight of 1787.05 g/mol, XLogP of 18.22, 8 rotatable bonds, 20 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(4-aminophenyl)-3H-quinazolin-4-one;2-(4-aminophenyl)-3H-benzimidazol-5-amine;2-(4-aminophenyl)-1,3-benzoxazol-6-amine;4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;2-(4-amino-2-pyridinyl)pyridin-4-amine;5-(1H-benzimidazol-2-yl)benzene-1,3-diamine;5-(1,3-benzoxazol-2-yl)benzene-1,3-diamine;9H-carbazole-3,6-diamine is sourced from PubChem (CID 159609934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).