N-(4-methoxy-3-methylphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine

C28H24N4O2 — CID 71180616

IUPACN-(4-methoxy-3-methylphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1cccc(-c2ccc3nc(-c4cccnc4)nc(Nc4ccc(OC)c(C)c4)c3c2)c1
InChIInChI=1S/C28H24N4O2/c1-18-14-22(10-12-26(18)34-3)30-28-24-16-20(19-6-4-8-23(15-19)33-2)9-11-25(24)31-27(32-28)21-7-5-13-29-17-21/h4-17H,1-3H3,(H,30,31,32)
InChIKeyJZMVEZADVVRPJJ-UHFFFAOYSA-N
MW448.53 g/mol
LogP6.43
Rot. Bonds6

About N-(4-methoxy-3-methylphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine

N-(4-methoxy-3-methylphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71180616) has the molecular formula C28H24N4O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-(4-methoxy-3-methylphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(4-methoxy-3-methylphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71180616
Molecular FormulaC28H24N4O2
Molecular Weight448.53 g/mol
Exact Mass448.19
IUPAC NameN-(4-methoxy-3-methylphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1cccc(-c2ccc3nc(-c4cccnc4)nc(Nc4ccc(OC)c(C)c4)c3c2)c1
InChIInChI=1S/C28H24N4O2/c1-18-14-22(10-12-26(18)34-3)30-28-24-16-20(19-6-4-8-23(15-19)33-2)9-11-25(24)31-27(32-28)21-7-5-13-29-17-21/h4-17H,1-3H3,(H,30,31,32)
InChIKeyJZMVEZADVVRPJJ-UHFFFAOYSA-N
XLogP6.43
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.53
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methoxy-3-methylphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine with MolForge

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Related Compounds

Cp-724714
CID 9874913
Retelliptine
CID 68913
6-Ethyl-5-{3-[3-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149550
6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
10,11-Dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine
CID 17754396
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
6H-Pyrido(4,3-b)carbazole, 1-((3-aminopropyl)amino)-9-methoxy-5-methyl-, dihydrate
CID 135594
6H-Pyrido(4,3-b)carbazole, 1-((3-(4-aminopropyl-1-piperazinyl)propyl)amino)-9-methoxy-5-methyl-
CID 135608
1,3-Propanediamine, N,N-diethyl-N'-(9-methoxy-5-methyl-6H-pyrido(4,3-b)carbazol-1-yl)-
CID 149478
6H-Pyrido(4,3-b)carbazole, 5,11-dimethyl-1-((3-(dimethylamino)propyl)amino)-9-methoxy-, ethanol
CID 153726
1,3-Propanediamine, N-ethyl-N'-(9-methoxy-5-methyl-6H-pyrido(4,3-b)carbazol-1-yl)-
CID 3068868
1,3-Propanediamine, N'-(5,11-dimethyl-9-methoxy-6H-pyrido(4,3-b)carbazol-1-yl)-N-ethyl-
CID 3068869

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-methylphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-(4-methoxy-3-methylphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine (CID 71180616) is N-(4-methoxy-3-methylphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(4-methoxy-3-methylphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-(4-methoxy-3-methylphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine is COc1cccc(-c2ccc3nc(-c4cccnc4)nc(Nc4ccc(OC)c(C)c4)c3c2)c1.
What is the InChIKey of N-(4-methoxy-3-methylphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is JZMVEZADVVRPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O2/c1-18-14-22(10-12-26(18)34-3)30-28-24-16-20(19-6-4-8-23(15-19)33-2)9-11-25(24)31-27(32-28)21-7-5-13-29-17-21/h4-17H,1-3H3,(H,30,31,32).
What are the key properties of N-(4-methoxy-3-methylphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
N-(4-methoxy-3-methylphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 448.53 g/mol, XLogP of 6.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-methylphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71180616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).