2-chloro-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide

C20H18ClN3O2 — CID 4259169

IUPAC2-chloro-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide
SMILESO=C(Nc1ccc2nc3n(c(=O)c2c1)CCCCC3)c1ccccc1Cl
InChIInChI=1S/C20H18ClN3O2/c21-16-7-4-3-6-14(16)19(25)22-13-9-10-17-15(12-13)20(26)24-11-5-1-2-8-18(24)23-17/h3-4,6-7,9-10,12H,1-2,5,8,11H2,(H,22,25)
InChIKeyXTZGMGNZCYMFIL-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.03
Rot. Bonds2

About 2-chloro-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide

2-chloro-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide (PubChem CID 4259169) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 2-chloro-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide
PubChem CID4259169
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name2-chloro-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide
SMILESO=C(Nc1ccc2nc3n(c(=O)c2c1)CCCCC3)c1ccccc1Cl
InChIInChI=1S/C20H18ClN3O2/c21-16-7-4-3-6-14(16)19(25)22-13-9-10-17-15(12-13)20(26)24-11-5-1-2-8-18(24)23-17/h3-4,6-7,9-10,12H,1-2,5,8,11H2,(H,22,25)
InChIKeyXTZGMGNZCYMFIL-UHFFFAOYSA-N
XLogP4.03
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide with MolForge

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Related Compounds

5-chloro-2-(3-(4-phenyl-3,6-dihydro-1(2H)-pyridinyl)propyl)-4(3H)-quinazolinone
CID 135444661
4(3H)-Quinazolinone, 3-(3-chloro-2-methylphenyl)-2-methyl-
CID 63201
FR-255595
CID 135532443
2-[(E)-2-(2-chlorophenyl)ethenyl]-3-ethylquinazolin-4(3H)-one
CID 6247184
2-[(E)-2-(2-chlorophenyl)ethenyl]-1H-quinazolin-4-one
CID 135580315
Sclerotigenin
CID 10802469
6-Amino-3-[(2-chlorophenyl)methyl]-2-propyl-4-quinazolinone
CID 1173996
4-chloro-8,9,10,11-tetrahydro-7H-azepino[1,2-a]quinazolin-5-one
CID 2324381
2-methyl-N-(11-oxo-6,8,9,11-tetrahydro-7H-pyrido[2,1-b]quinazolin-2-yl)benzamide
CID 24748024
2-chloro-N-[3-[[4-(3-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide
CID 3188315
2-(4-Benzylpiperidin-1-YL)-2-oxo-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-B]quinazolin-2-YL}acetamide
CID 23602308
N-(3-(4-chlorobenzyl)-4-oxo-3,4-dihydroquinazolin-6-yl)-2-hydroxyacetamide
CID 25159235

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide?
The IUPAC name of 2-chloro-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide (CID 4259169) is 2-chloro-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide is O=C(Nc1ccc2nc3n(c(=O)c2c1)CCCCC3)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide?
The InChIKey is XTZGMGNZCYMFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-16-7-4-3-6-14(16)19(25)22-13-9-10-17-15(12-13)20(26)24-11-5-1-2-8-18(24)23-17/h3-4,6-7,9-10,12H,1-2,5,8,11H2,(H,22,25).
What are the key properties of 2-chloro-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide?
2-chloro-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide has a molecular weight of 367.84 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide is sourced from PubChem (CID 4259169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).