1-[4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenyl]ethanone

C23H23N3O2 — CID 57133039

IUPAC1-[4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenyl]ethanone
SMILESCOc1ccc2c(c1)-c1nc(Nc3ccc(C(C)=O)cc3)ncc1CC2(C)C
InChIInChI=1S/C23H23N3O2/c1-14(27)15-5-7-17(8-6-15)25-22-24-13-16-12-23(2,3)20-10-9-18(28-4)11-19(20)21(16)26-22/h5-11,13H,12H2,1-4H3,(H,24,25,26)
InChIKeyLSSQHBHWKBINRD-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.93
Rot. Bonds4

About 1-[4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenyl]ethanone

1-[4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenyl]ethanone (PubChem CID 57133039) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-[4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenyl]ethanone
PubChem CID57133039
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name1-[4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenyl]ethanone
SMILESCOc1ccc2c(c1)-c1nc(Nc3ccc(C(C)=O)cc3)ncc1CC2(C)C
InChIInChI=1S/C23H23N3O2/c1-14(27)15-5-7-17(8-6-15)25-22-24-13-16-12-23(2,3)20-10-9-18(28-4)11-19(20)21(16)26-22/h5-11,13H,12H2,1-4H3,(H,24,25,26)
InChIKeyLSSQHBHWKBINRD-UHFFFAOYSA-N
XLogP4.93
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenyl]ethanone 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

2-methoxy-4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenol
CID 57126257
N-[3-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenyl]formamide
CID 57163912
2-[4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]-2,6-dimethylphenoxy]ethanol
CID 57289280
9-methoxy-6,6-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5H-benzo[h]quinazolin-2-amine
CID 57241814
3-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]benzenecarboximidamide
CID 57195545
N-[4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenyl]-2-pyrrolidin-1-ylethanesulfonamide
CID 57119064
2-[4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenoxy]ethyl 2-methylbenzenesulfonate
CID 57223703
9-methoxy-6,6-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]phenyl]-5H-benzo[h]quinazolin-2-amine
CID 57162990
N-[4-[(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)amino]phenyl]acetamide
CID 175796904
N-[4-[2-(dimethylamino)ethoxy]phenyl]-6,6-diethyl-9-methoxy-5H-benzo[h]quinazolin-2-amine
CID 57044705
8-methoxy-N-(4-methoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 18918768
N-[4-[(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)amino]phenyl]-4-nitrobenzamide
CID 156788599

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenyl]ethanone (CID 57133039) is 1-[4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenyl]ethanone is COc1ccc2c(c1)-c1nc(Nc3ccc(C(C)=O)cc3)ncc1CC2(C)C.
What is the InChIKey of 1-[4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenyl]ethanone?
The InChIKey is LSSQHBHWKBINRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-14(27)15-5-7-17(8-6-15)25-22-24-13-16-12-23(2,3)20-10-9-18(28-4)11-19(20)21(16)26-22/h5-11,13H,12H2,1-4H3,(H,24,25,26).
What are the key properties of 1-[4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenyl]ethanone?
1-[4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenyl]ethanone has a molecular weight of 373.46 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenyl]ethanone is sourced from PubChem (CID 57133039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).