7-chloro-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]quinazolin-4-one

C19H15ClN4O4 — CID 24528444

IUPAC7-chloro-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2cc(Cl)ccc2c1=O)N1CCCc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C19H15ClN4O4/c20-13-3-5-15-16(9-13)21-11-22(19(15)26)10-18(25)23-7-1-2-12-8-14(24(27)28)4-6-17(12)23/h3-6,8-9,11H,1-2,7,10H2
InChIKeyBVUIMUYOEBVUGN-UHFFFAOYSA-N
MW398.81 g/mol
LogP2.94
Rot. Bonds3

About 7-chloro-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]quinazolin-4-one

7-chloro-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]quinazolin-4-one (PubChem CID 24528444) has the molecular formula C19H15ClN4O4 and a molecular weight of 398.81 g/mol. Its IUPAC name is 7-chloro-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]quinazolin-4-one
PubChem CID24528444
Molecular FormulaC19H15ClN4O4
Molecular Weight398.81 g/mol
Exact Mass398.08
IUPAC Name7-chloro-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2cc(Cl)ccc2c1=O)N1CCCc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C19H15ClN4O4/c20-13-3-5-15-16(9-13)21-11-22(19(15)26)10-18(25)23-7-1-2-12-8-14(24(27)28)4-6-17(12)23/h3-6,8-9,11H,1-2,7,10H2
InChIKeyBVUIMUYOEBVUGN-UHFFFAOYSA-N
XLogP2.94
TPSA98.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.81
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-chloro-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]quinazolin-4-one with MolForge

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Related Compounds

1-methyl-5-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 26970890
5,6-dimethyl-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 27324232
2-(2,5-dichlorophenoxy)-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 27324679
6-methyl-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 24527265
[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27939954
3-[2-(azocan-1-yl)-2-oxoethyl]-6-nitroquinazolin-4-one
CID 51215364
N-[(4-chlorophenyl)methyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 2084381
6-chloro-3-[2-(4-nitrophenyl)-2-oxoethyl]quinazolin-4-one
CID 4997929
8-chloro-1,3-dimethyl-7-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]purine-2,6-dione
CID 27312707
3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-7-nitroquinazolin-4-one
CID 3892710
1-[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]-7-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidin-1-yl]heptane-1,7-dione
CID 158798517
6-methyl-3-[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 27353527

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 7-chloro-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]quinazolin-4-one (CID 24528444) is 7-chloro-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 7-chloro-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 7-chloro-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]quinazolin-4-one is O=C(Cn1cnc2cc(Cl)ccc2c1=O)N1CCCc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 7-chloro-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]quinazolin-4-one?
The InChIKey is BVUIMUYOEBVUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O4/c20-13-3-5-15-16(9-13)21-11-22(19(15)26)10-18(25)23-7-1-2-12-8-14(24(27)28)4-6-17(12)23/h3-6,8-9,11H,1-2,7,10H2.
What are the key properties of 7-chloro-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]quinazolin-4-one?
7-chloro-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]quinazolin-4-one has a molecular weight of 398.81 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 24528444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).