N-[7-methoxy-4-(4-phenylmethoxyanilino)quinazolin-6-yl]propanamide

C25H24N4O3 — CID 134138310

IUPACN-[7-methoxy-4-(4-phenylmethoxyanilino)quinazolin-6-yl]propanamide
SMILESCCC(=O)Nc1cc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2cc1OC
InChIInChI=1S/C25H24N4O3/c1-3-24(30)29-22-13-20-21(14-23(22)31-2)26-16-27-25(20)28-18-9-11-19(12-10-18)32-15-17-7-5-4-6-8-17/h4-14,16H,3,15H2,1-2H3,(H,29,30)(H,26,27,28)
InChIKeyYUEWCBSNZWDONI-UHFFFAOYSA-N
MW428.49 g/mol
LogP5.31
Rot. Bonds8

About N-[7-methoxy-4-(4-phenylmethoxyanilino)quinazolin-6-yl]propanamide

N-[7-methoxy-4-(4-phenylmethoxyanilino)quinazolin-6-yl]propanamide (PubChem CID 134138310) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[7-methoxy-4-(4-phenylmethoxyanilino)quinazolin-6-yl]propanamide.

Molecular Properties

Compound NameN-[7-methoxy-4-(4-phenylmethoxyanilino)quinazolin-6-yl]propanamide
PubChem CID134138310
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC NameN-[7-methoxy-4-(4-phenylmethoxyanilino)quinazolin-6-yl]propanamide
SMILESCCC(=O)Nc1cc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2cc1OC
InChIInChI=1S/C25H24N4O3/c1-3-24(30)29-22-13-20-21(14-23(22)31-2)26-16-27-25(20)28-18-9-11-19(12-10-18)32-15-17-7-5-4-6-8-17/h4-14,16H,3,15H2,1-2H3,(H,29,30)(H,26,27,28)
InChIKeyYUEWCBSNZWDONI-UHFFFAOYSA-N
XLogP5.31
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[7-methoxy-4-(4-phenylmethoxyanilino)quinazolin-6-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
N-[4-[4-(benzenesulfonamido)anilino]-7-methoxyquinazolin-6-yl]propanamide
CID 134153313
N-[7-[4-(dimethylamino)butoxy]-4-(4-phenylmethoxyanilino)quinazolin-6-yl]prop-2-enamide
CID 18535828
[4-(4-phenylmethoxyanilino)quinazolin-7-yl] acetate
CID 54081990
4-(4-phenylmethoxyanilino)quinazolin-7-ol
CID 135984119
2-[4-(4-phenylmethoxyanilino)quinazolin-6-yl]prop-2-enoic acid
CID 18535943
N-[(4-anilino-7-methoxyquinazolin-6-yl)carbamoyl]benzamide
CID 141449293
7-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)butyl]-6-methoxy-4-N-(4-phenylmethoxyphenyl)quinazoline-4,7-diamine
CID 67566020
5,6-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698116
4-phenylmethoxyaniline;N-[4-(4-phenylmethoxyanilino)quinazolin-6-yl]prop-2-enamide
CID 18535778
6,7-dimethoxy-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride
CID 44523346
6-methylsulfanyl-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 57260574

Frequently Asked Questions

What is the IUPAC name of N-[7-methoxy-4-(4-phenylmethoxyanilino)quinazolin-6-yl]propanamide?
The IUPAC name of N-[7-methoxy-4-(4-phenylmethoxyanilino)quinazolin-6-yl]propanamide (CID 134138310) is N-[7-methoxy-4-(4-phenylmethoxyanilino)quinazolin-6-yl]propanamide.
What is the SMILES notation for N-[7-methoxy-4-(4-phenylmethoxyanilino)quinazolin-6-yl]propanamide?
The canonical SMILES for N-[7-methoxy-4-(4-phenylmethoxyanilino)quinazolin-6-yl]propanamide is CCC(=O)Nc1cc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2cc1OC.
What is the InChIKey of N-[7-methoxy-4-(4-phenylmethoxyanilino)quinazolin-6-yl]propanamide?
The InChIKey is YUEWCBSNZWDONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-3-24(30)29-22-13-20-21(14-23(22)31-2)26-16-27-25(20)28-18-9-11-19(12-10-18)32-15-17-7-5-4-6-8-17/h4-14,16H,3,15H2,1-2H3,(H,29,30)(H,26,27,28).
What are the key properties of N-[7-methoxy-4-(4-phenylmethoxyanilino)quinazolin-6-yl]propanamide?
N-[7-methoxy-4-(4-phenylmethoxyanilino)quinazolin-6-yl]propanamide has a molecular weight of 428.49 g/mol, XLogP of 5.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-methoxy-4-(4-phenylmethoxyanilino)quinazolin-6-yl]propanamide is sourced from PubChem (CID 134138310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).