4-N-(3-methoxyphenyl)-2-N-(4-piperidin-1-ylphenyl)quinazoline-2,4-diamine

C26H27N5O — CID 54514405

IUPAC4-N-(3-methoxyphenyl)-2-N-(4-piperidin-1-ylphenyl)quinazoline-2,4-diamine
SMILESCOc1cccc(Nc2nc(Nc3ccc(N4CCCCC4)cc3)nc3ccccc23)c1
InChIInChI=1S/C26H27N5O/c1-32-22-9-7-8-20(18-22)27-25-23-10-3-4-11-24(23)29-26(30-25)28-19-12-14-21(15-13-19)31-16-5-2-6-17-31/h3-4,7-15,18H,2,5-6,16-17H2,1H3,(H2,27,28,29,30)
InChIKeyYLJWKBBJBGLCMZ-UHFFFAOYSA-N
MW425.54 g/mol
LogP6.12
Rot. Bonds6

About 4-N-(3-methoxyphenyl)-2-N-(4-piperidin-1-ylphenyl)quinazoline-2,4-diamine

4-N-(3-methoxyphenyl)-2-N-(4-piperidin-1-ylphenyl)quinazoline-2,4-diamine (PubChem CID 54514405) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is 4-N-(3-methoxyphenyl)-2-N-(4-piperidin-1-ylphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-methoxyphenyl)-2-N-(4-piperidin-1-ylphenyl)quinazoline-2,4-diamine
PubChem CID54514405
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name4-N-(3-methoxyphenyl)-2-N-(4-piperidin-1-ylphenyl)quinazoline-2,4-diamine
SMILESCOc1cccc(Nc2nc(Nc3ccc(N4CCCCC4)cc3)nc3ccccc23)c1
InChIInChI=1S/C26H27N5O/c1-32-22-9-7-8-20(18-22)27-25-23-10-3-4-11-24(23)29-26(30-25)28-19-12-14-21(15-13-19)31-16-5-2-6-17-31/h3-4,7-15,18H,2,5-6,16-17H2,1H3,(H2,27,28,29,30)
InChIKeyYLJWKBBJBGLCMZ-UHFFFAOYSA-N
XLogP6.12
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.54
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-4-piperidin-1-ylquinazolin-2-amine
CID 2095932
3-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]benzoic acid
CID 71691164
ethane;N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine
CID 143177747
N-[[4-[[4-(3-methoxyanilino)quinazolin-2-yl]amino]phenyl]methyl]methanesulfonamide
CID 54460110
4-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]phenol
CID 54556640
2-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine
CID 50947631
2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690518
2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720007
2-N-(3-chloro-2-methylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 71691183
2-N-(3-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 46850879
2-N-[3-(dimethylamino)phenyl]-6,7-dimethoxy-4-N-(4-morpholin-4-ylphenyl)quinazoline-2,4-diamine
CID 117079834
2-N-(3-methoxyphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine;hydrochloride
CID 2951909

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxyphenyl)-2-N-(4-piperidin-1-ylphenyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(3-methoxyphenyl)-2-N-(4-piperidin-1-ylphenyl)quinazoline-2,4-diamine (CID 54514405) is 4-N-(3-methoxyphenyl)-2-N-(4-piperidin-1-ylphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(3-methoxyphenyl)-2-N-(4-piperidin-1-ylphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(3-methoxyphenyl)-2-N-(4-piperidin-1-ylphenyl)quinazoline-2,4-diamine is COc1cccc(Nc2nc(Nc3ccc(N4CCCCC4)cc3)nc3ccccc23)c1.
What is the InChIKey of 4-N-(3-methoxyphenyl)-2-N-(4-piperidin-1-ylphenyl)quinazoline-2,4-diamine?
The InChIKey is YLJWKBBJBGLCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-32-22-9-7-8-20(18-22)27-25-23-10-3-4-11-24(23)29-26(30-25)28-19-12-14-21(15-13-19)31-16-5-2-6-17-31/h3-4,7-15,18H,2,5-6,16-17H2,1H3,(H2,27,28,29,30).
What are the key properties of 4-N-(3-methoxyphenyl)-2-N-(4-piperidin-1-ylphenyl)quinazoline-2,4-diamine?
4-N-(3-methoxyphenyl)-2-N-(4-piperidin-1-ylphenyl)quinazoline-2,4-diamine has a molecular weight of 425.54 g/mol, XLogP of 6.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methoxyphenyl)-2-N-(4-piperidin-1-ylphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 54514405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).