2-amino-4-(4-methoxy-N-methylanilino)-1H-quinazolin-2-ol

C16H18N4O2 — CID 154341225

IUPAC2-amino-4-(4-methoxy-N-methylanilino)-1H-quinazolin-2-ol
SMILESCOc1ccc(N(C)C2=NC(N)(O)Nc3ccccc32)cc1
InChIInChI=1S/C16H18N4O2/c1-20(11-7-9-12(22-2)10-8-11)15-13-5-3-4-6-14(13)18-16(17,21)19-15/h3-10,18,21H,17H2,1-2H3
InChIKeyFNGLMGREOBBCCW-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.57
Rot. Bonds2

About 2-amino-4-(4-methoxy-N-methylanilino)-1H-quinazolin-2-ol

2-amino-4-(4-methoxy-N-methylanilino)-1H-quinazolin-2-ol (PubChem CID 154341225) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-amino-4-(4-methoxy-N-methylanilino)-1H-quinazolin-2-ol.

Molecular Properties

Compound Name2-amino-4-(4-methoxy-N-methylanilino)-1H-quinazolin-2-ol
PubChem CID154341225
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-amino-4-(4-methoxy-N-methylanilino)-1H-quinazolin-2-ol
SMILESCOc1ccc(N(C)C2=NC(N)(O)Nc3ccccc32)cc1
InChIInChI=1S/C16H18N4O2/c1-20(11-7-9-12(22-2)10-8-11)15-13-5-3-4-6-14(13)18-16(17,21)19-15/h3-10,18,21H,17H2,1-2H3
InChIKeyFNGLMGREOBBCCW-UHFFFAOYSA-N
XLogP1.57
TPSA83.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-bis(4-methoxyphenyl)-1H-indol-3-one
CID 138738671
(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methoxyphenyl)methanone;hydrochloride
CID 67568356
4-methoxy-N-(4-methoxyphenyl)-N-methylaniline;hydrochloride
CID 175476332
2,3-bis(4-methoxyphenyl)-5,5-dimethyl-6H-imidazo[1,2-c]quinazoline
CID 11395802
2-N-(4-methoxyphenyl)-6-N-methyl-4-N-(4-methylphenyl)-2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine
CID 59685810
2-(4-methoxyphenyl)-2,4-dimethyl-1H-quinoline
CID 15834051
4-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-N-methylaniline
CID 168555273
3-[2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanoic acid
CID 136544792
4-N-(4-methoxyphenyl)-4-N-methyl-9H-pyrimido[4,5-b]indole-2,4-diamine
CID 25233117
2-(4-methoxyphenyl)-2-phenacyl-1H-indol-3-one
CID 154722470
5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline
CID 136544798
(5R)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline
CID 137124871

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methoxy-N-methylanilino)-1H-quinazolin-2-ol?
The IUPAC name of 2-amino-4-(4-methoxy-N-methylanilino)-1H-quinazolin-2-ol (CID 154341225) is 2-amino-4-(4-methoxy-N-methylanilino)-1H-quinazolin-2-ol.
What is the SMILES notation for 2-amino-4-(4-methoxy-N-methylanilino)-1H-quinazolin-2-ol?
The canonical SMILES for 2-amino-4-(4-methoxy-N-methylanilino)-1H-quinazolin-2-ol is COc1ccc(N(C)C2=NC(N)(O)Nc3ccccc32)cc1.
What is the InChIKey of 2-amino-4-(4-methoxy-N-methylanilino)-1H-quinazolin-2-ol?
The InChIKey is FNGLMGREOBBCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-20(11-7-9-12(22-2)10-8-11)15-13-5-3-4-6-14(13)18-16(17,21)19-15/h3-10,18,21H,17H2,1-2H3.
What are the key properties of 2-amino-4-(4-methoxy-N-methylanilino)-1H-quinazolin-2-ol?
2-amino-4-(4-methoxy-N-methylanilino)-1H-quinazolin-2-ol has a molecular weight of 298.35 g/mol, XLogP of 1.57, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methoxy-N-methylanilino)-1H-quinazolin-2-ol is sourced from PubChem (CID 154341225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).