7-(7H-cyclopenta[b]pyridin-3-yl)-4-(7-methoxy-2-methylquinazolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine

C27H24N4O2 — CID 59586349

IUPAC7-(7H-cyclopenta[b]pyridin-3-yl)-4-(7-methoxy-2-methylquinazolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine
SMILESCOc1ccc2c(N3CCOc4ccc(-c5cnc6c(c5)C=CC6)cc4C3)nc(C)nc2c1
InChIInChI=1S/C27H24N4O2/c1-17-29-25-14-22(32-2)7-8-23(25)27(30-17)31-10-11-33-26-9-6-18(12-21(26)16-31)20-13-19-4-3-5-24(19)28-15-20/h3-4,6-9,12-15H,5,10-11,16H2,1-2H3
InChIKeySSINSMZXHWZYTG-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.98
Rot. Bonds3

About 7-(7H-cyclopenta[b]pyridin-3-yl)-4-(7-methoxy-2-methylquinazolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine

7-(7H-cyclopenta[b]pyridin-3-yl)-4-(7-methoxy-2-methylquinazolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine (PubChem CID 59586349) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 7-(7H-cyclopenta[b]pyridin-3-yl)-4-(7-methoxy-2-methylquinazolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine.

Molecular Properties

Compound Name7-(7H-cyclopenta[b]pyridin-3-yl)-4-(7-methoxy-2-methylquinazolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine
PubChem CID59586349
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name7-(7H-cyclopenta[b]pyridin-3-yl)-4-(7-methoxy-2-methylquinazolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine
SMILESCOc1ccc2c(N3CCOc4ccc(-c5cnc6c(c5)C=CC6)cc4C3)nc(C)nc2c1
InChIInChI=1S/C27H24N4O2/c1-17-29-25-14-22(32-2)7-8-23(25)27(30-17)31-10-11-33-26-9-6-18(12-21(26)16-31)20-13-19-4-3-5-24(19)28-15-20/h3-4,6-9,12-15H,5,10-11,16H2,1-2H3
InChIKeySSINSMZXHWZYTG-UHFFFAOYSA-N
XLogP4.98
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(7H-cyclopenta[b]pyridin-3-yl)-4-(7-methoxy-2-methylquinazolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine with MolForge

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Related Compounds

6-[4-[2-[(dimethylamino)methyl]-7-methoxyquinazolin-4-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 59586650
4-(6-methoxyquinazolin-4-yl)-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 59586416
1-[4-[7-[(3aZ,7E)-6-methyl-5,6-dihydro-1H-cycloocta[d]imidazol-8-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-7-methoxyquinazolin-2-yl]-N,N-dimethylmethanamine
CID 123222380
5-(7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrimidine-2-carbonitrile
CID 138048050
4-[[8-(1H-indazol-5-yl)-5-methyl-3,4,5,6-tetrahydro-2H-1-benzoxocin-4-yl]methyl]-7-methoxy-2-methylquinazoline
CID 90701646
4-[5-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 59586409
6-[4-[5-bromo-2-[(dimethylamino)methyl]-6-methylpyrimidin-4-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 59586466
6-[4-(2-amino-6-chloro-3,5-dimethylpyrimidin-3-ium-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 123375821
4-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl)-7-(3H-pyrido[2,3-b][1,4]oxazin-7-yl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 91184063
3-(2-methyl-4-pyridinyl)-7H-cyclopenta[b]pyridine
CID 158490130
4-(8-methoxy-7-phenylmethoxyquinazolin-4-yl)-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 59586620
7-(2-methyl-3H-benzimidazol-5-yl)-4-(5-phenylpyrimidin-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 123389979

Frequently Asked Questions

What is the IUPAC name of 7-(7H-cyclopenta[b]pyridin-3-yl)-4-(7-methoxy-2-methylquinazolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine?
The IUPAC name of 7-(7H-cyclopenta[b]pyridin-3-yl)-4-(7-methoxy-2-methylquinazolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine (CID 59586349) is 7-(7H-cyclopenta[b]pyridin-3-yl)-4-(7-methoxy-2-methylquinazolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine.
What is the SMILES notation for 7-(7H-cyclopenta[b]pyridin-3-yl)-4-(7-methoxy-2-methylquinazolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine?
The canonical SMILES for 7-(7H-cyclopenta[b]pyridin-3-yl)-4-(7-methoxy-2-methylquinazolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine is COc1ccc2c(N3CCOc4ccc(-c5cnc6c(c5)C=CC6)cc4C3)nc(C)nc2c1.
What is the InChIKey of 7-(7H-cyclopenta[b]pyridin-3-yl)-4-(7-methoxy-2-methylquinazolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine?
The InChIKey is SSINSMZXHWZYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c1-17-29-25-14-22(32-2)7-8-23(25)27(30-17)31-10-11-33-26-9-6-18(12-21(26)16-31)20-13-19-4-3-5-24(19)28-15-20/h3-4,6-9,12-15H,5,10-11,16H2,1-2H3.
What are the key properties of 7-(7H-cyclopenta[b]pyridin-3-yl)-4-(7-methoxy-2-methylquinazolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine?
7-(7H-cyclopenta[b]pyridin-3-yl)-4-(7-methoxy-2-methylquinazolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine has a molecular weight of 436.52 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(7H-cyclopenta[b]pyridin-3-yl)-4-(7-methoxy-2-methylquinazolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine is sourced from PubChem (CID 59586349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).