N-benzyl-7-chloro-4,10-dioxo-2,5-dihydropyrazolo[3,4-c][1]benzazepine-1-carboxamide

C19H13ClN4O3 — CID 15491055

IUPACN-benzyl-7-chloro-4,10-dioxo-2,5-dihydropyrazolo[3,4-c][1]benzazepine-1-carboxamide
SMILESO=C(NCc1ccccc1)c1[nH]nc2c(=O)[nH]c3cc(Cl)ccc3c(=O)c12
InChIInChI=1S/C19H13ClN4O3/c20-11-6-7-12-13(8-11)22-19(27)16-14(17(12)25)15(23-24-16)18(26)21-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,21,26)(H,22,27)(H,23,24)
InChIKeyDZRNXFIAYHZWOQ-UHFFFAOYSA-N
MW380.79 g/mol
LogP2.35
Rot. Bonds3

About N-benzyl-7-chloro-4,10-dioxo-2,5-dihydropyrazolo[3,4-c][1]benzazepine-1-carboxamide

N-benzyl-7-chloro-4,10-dioxo-2,5-dihydropyrazolo[3,4-c][1]benzazepine-1-carboxamide (PubChem CID 15491055) has the molecular formula C19H13ClN4O3 and a molecular weight of 380.79 g/mol. Its IUPAC name is N-benzyl-7-chloro-4,10-dioxo-2,5-dihydropyrazolo[3,4-c][1]benzazepine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-7-chloro-4,10-dioxo-2,5-dihydropyrazolo[3,4-c][1]benzazepine-1-carboxamide
PubChem CID15491055
Molecular FormulaC19H13ClN4O3
Molecular Weight380.79 g/mol
Exact Mass380.07
IUPAC NameN-benzyl-7-chloro-4,10-dioxo-2,5-dihydropyrazolo[3,4-c][1]benzazepine-1-carboxamide
SMILESO=C(NCc1ccccc1)c1[nH]nc2c(=O)[nH]c3cc(Cl)ccc3c(=O)c12
InChIInChI=1S/C19H13ClN4O3/c20-11-6-7-12-13(8-11)22-19(27)16-14(17(12)25)15(23-24-16)18(26)21-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,21,26)(H,22,27)(H,23,24)
InChIKeyDZRNXFIAYHZWOQ-UHFFFAOYSA-N
XLogP2.35
TPSA107.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.79
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-4-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide
CID 39042088
N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 123757934
N-benzyl-4-(benzylamino)-7-chloroquinoline-2-carboxamide
CID 1047229
N-[(4-chlorophenyl)methyl]-3,6-dimethyl-1H-indole-2-carboxamide
CID 113204978
5-N-benzyl-3-N-(2,4-dichlorophenyl)-1H-pyrazole-3,5-dicarboxamide
CID 58810330
6-chloro-N-[(2-fluorophenyl)methyl]-3-methyl-1H-indole-2-carboxamide
CID 113205279
N-benzyl-2-(4-chloro-2-fluorophenyl)acetamide
CID 56920126
5-[(4,10-dioxo-2,5-dihydrotriazolo[4,5-c][1]benzazepin-7-yl)methylamino]-5-oxopentanoic acid
CID 18937641
7-chloro-4-hydroxy-3-(3-phenyl-2-sulfanylpropanoyl)-1H-quinolin-2-one
CID 57130394
7-chloro-N-[[4-(methylaminomethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 18473034
N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17402682
3-chloro-5,7-dihydroindolo[2,3-c]quinolin-6-one
CID 71560083

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-chloro-4,10-dioxo-2,5-dihydropyrazolo[3,4-c][1]benzazepine-1-carboxamide?
The IUPAC name of N-benzyl-7-chloro-4,10-dioxo-2,5-dihydropyrazolo[3,4-c][1]benzazepine-1-carboxamide (CID 15491055) is N-benzyl-7-chloro-4,10-dioxo-2,5-dihydropyrazolo[3,4-c][1]benzazepine-1-carboxamide.
What is the SMILES notation for N-benzyl-7-chloro-4,10-dioxo-2,5-dihydropyrazolo[3,4-c][1]benzazepine-1-carboxamide?
The canonical SMILES for N-benzyl-7-chloro-4,10-dioxo-2,5-dihydropyrazolo[3,4-c][1]benzazepine-1-carboxamide is O=C(NCc1ccccc1)c1[nH]nc2c(=O)[nH]c3cc(Cl)ccc3c(=O)c12.
What is the InChIKey of N-benzyl-7-chloro-4,10-dioxo-2,5-dihydropyrazolo[3,4-c][1]benzazepine-1-carboxamide?
The InChIKey is DZRNXFIAYHZWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O3/c20-11-6-7-12-13(8-11)22-19(27)16-14(17(12)25)15(23-24-16)18(26)21-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,21,26)(H,22,27)(H,23,24).
What are the key properties of N-benzyl-7-chloro-4,10-dioxo-2,5-dihydropyrazolo[3,4-c][1]benzazepine-1-carboxamide?
N-benzyl-7-chloro-4,10-dioxo-2,5-dihydropyrazolo[3,4-c][1]benzazepine-1-carboxamide has a molecular weight of 380.79 g/mol, XLogP of 2.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-chloro-4,10-dioxo-2,5-dihydropyrazolo[3,4-c][1]benzazepine-1-carboxamide is sourced from PubChem (CID 15491055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).