N-(cyclohexen-1-yl)-N-cyclopropyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide

C19H20N4O4 — CID 8522457

IUPACN-(cyclohexen-1-yl)-N-cyclopropyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)N(C1=CCCCC1)C1CC1
InChIInChI=1S/C19H20N4O4/c24-18(22(14-6-7-14)13-4-2-1-3-5-13)11-21-12-20-17-9-8-15(23(26)27)10-16(17)19(21)25/h4,8-10,12,14H,1-3,5-7,11H2
InChIKeyCTXAHOAOMMAKNH-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.75
Rot. Bonds5

About N-(cyclohexen-1-yl)-N-cyclopropyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide

N-(cyclohexen-1-yl)-N-cyclopropyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 8522457) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-N-cyclopropyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-N-cyclopropyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
PubChem CID8522457
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC NameN-(cyclohexen-1-yl)-N-cyclopropyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)N(C1=CCCCC1)C1CC1
InChIInChI=1S/C19H20N4O4/c24-18(22(14-6-7-14)13-4-2-1-3-5-13)11-21-12-20-17-9-8-15(23(26)27)10-16(17)19(21)25/h4,8-10,12,14H,1-3,5-7,11H2
InChIKeyCTXAHOAOMMAKNH-UHFFFAOYSA-N
XLogP2.75
TPSA98.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.75
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'}

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Related Compounds

N-(cyclohexen-1-yl)-N-cyclopropyl-2-[1-(2-nitrophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 46426393
N-cyclopentyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227373
2-(6-nitro-4-oxoquinazolin-3-yl)acetic acid
CID 2476040
3-[2-(azocan-1-yl)-2-oxoethyl]-6-nitroquinazolin-4-one
CID 51215364
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 8607699
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-nitroquinazolin-4-one
CID 7227422
3-(2-bromoprop-2-enyl)-6-nitroquinazolin-4-one
CID 52727110
3-[(2S)-3-cyclopentyl-2-hydroxypropyl]-6-nitroquinazolin-4-one
CID 99792512
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclopenten-1-yl)-N-methylacetamide
CID 53499149
3-[(1-hydroxycyclohexyl)methyl]-6-nitroquinazolin-4-one
CID 47556352
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 55390306
N,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
CID 46484188

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-N-cyclopropyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(cyclohexen-1-yl)-N-cyclopropyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide (CID 8522457) is N-(cyclohexen-1-yl)-N-cyclopropyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-N-cyclopropyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(cyclohexen-1-yl)-N-cyclopropyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)N(C1=CCCCC1)C1CC1.
What is the InChIKey of N-(cyclohexen-1-yl)-N-cyclopropyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is CTXAHOAOMMAKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c24-18(22(14-6-7-14)13-4-2-1-3-5-13)11-21-12-20-17-9-8-15(23(26)27)10-16(17)19(21)25/h4,8-10,12,14H,1-3,5-7,11H2.
What are the key properties of N-(cyclohexen-1-yl)-N-cyclopropyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide?
N-(cyclohexen-1-yl)-N-cyclopropyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 368.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-N-cyclopropyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 8522457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).