8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine

C23H22N4O — CID 10067754

IUPAC8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
SMILESCOc1cccc2c(N(C)c3ccccc3)nc(Nc3ccccc3C)nc12
InChIInChI=1S/C23H22N4O/c1-16-10-7-8-14-19(16)24-23-25-21-18(13-9-15-20(21)28-3)22(26-23)27(2)17-11-5-4-6-12-17/h4-15H,1-3H3,(H,24,25,26)
InChIKeyLPRAAPHEPRYBLH-UHFFFAOYSA-N
MW370.46 g/mol
LogP5.46
Rot. Bonds5

About 8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine

8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine (PubChem CID 10067754) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine.

Molecular Properties

Compound Name8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
PubChem CID10067754
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
SMILESCOc1cccc2c(N(C)c3ccccc3)nc(Nc3ccccc3C)nc12
InChIInChI=1S/C23H22N4O/c1-16-10-7-8-14-19(16)24-23-25-21-18(13-9-15-20(21)28-3)22(26-23)27(2)17-11-5-4-6-12-17/h4-15H,1-3H3,(H,24,25,26)
InChIKeyLPRAAPHEPRYBLH-UHFFFAOYSA-N
XLogP5.46
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Verubulin
CID 11414799
CP-31398
CID 9950868
(2-(1-(8-Methoxyquinazolin-4-yl)piperidin-4-yl)ethyl)phosphonic acid
CID 138468815
6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
2,4-Diamino-6-[N-(2',5'-Dimethoxybenzyl)-N-Methylamino]Quinazoline
CID 447021
N-(4-Phenoxyphenyl)-4-quinazolinamine
CID 712152
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
8-Methoxyquinolin-2-amine
CID 22266820
6,7-dimethoxy-N~2~-(2-methoxy-5-methylphenyl)quinazoline-2,4-diamine
CID 15990109
N~4~-benzyl-N~2~-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 1330474
N-(8-ethoxy-4-methylquinazolin-2-yl)guanidine
CID 2840092
N~2~-(3-methoxyphenyl)-N~4~-(tetrahydro-2-furanylmethyl)-2,4-quinazolinediamine hydrochloride
CID 2951909

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine?
The IUPAC name of 8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine (CID 10067754) is 8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine.
What is the SMILES notation for 8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine?
The canonical SMILES for 8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine is COc1cccc2c(N(C)c3ccccc3)nc(Nc3ccccc3C)nc12.
What is the InChIKey of 8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine?
The InChIKey is LPRAAPHEPRYBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-16-10-7-8-14-19(16)24-23-25-21-18(13-9-15-20(21)28-3)22(26-23)27(2)17-11-5-4-6-12-17/h4-15H,1-3H3,(H,24,25,26).
What are the key properties of 8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine?
8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine has a molecular weight of 370.46 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine is sourced from PubChem (CID 10067754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).