1-N,2-N-bis(4-oxoquinazolin-3-yl)cyclopropane-1,2-dicarboxamide

C21H16N6O4 — CID 166206906

IUPAC1-N,2-N-bis(4-oxoquinazolin-3-yl)cyclopropane-1,2-dicarboxamide
SMILESO=C(Nn1cnc2ccccc2c1=O)C1CC1C(=O)Nn1cnc2ccccc2c1=O
InChIInChI=1S/C21H16N6O4/c28-18(24-26-10-22-16-7-3-1-5-12(16)20(26)30)14-9-15(14)19(29)25-27-11-23-17-8-4-2-6-13(17)21(27)31/h1-8,10-11,14-15H,9H2,(H,24,28)(H,25,29)
InChIKeyXXKHUXLFBJJPBU-UHFFFAOYSA-N
MW416.40 g/mol
LogP0.58
Rot. Bonds4

About 1-N,2-N-bis(4-oxoquinazolin-3-yl)cyclopropane-1,2-dicarboxamide

1-N,2-N-bis(4-oxoquinazolin-3-yl)cyclopropane-1,2-dicarboxamide (PubChem CID 166206906) has the molecular formula C21H16N6O4 and a molecular weight of 416.40 g/mol. Its IUPAC name is 1-N,2-N-bis(4-oxoquinazolin-3-yl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N,2-N-bis(4-oxoquinazolin-3-yl)cyclopropane-1,2-dicarboxamide
PubChem CID166206906
Molecular FormulaC21H16N6O4
Molecular Weight416.40 g/mol
Exact Mass416.12
IUPAC Name1-N,2-N-bis(4-oxoquinazolin-3-yl)cyclopropane-1,2-dicarboxamide
SMILESO=C(Nn1cnc2ccccc2c1=O)C1CC1C(=O)Nn1cnc2ccccc2c1=O
InChIInChI=1S/C21H16N6O4/c28-18(24-26-10-22-16-7-3-1-5-12(16)20(26)30)14-9-15(14)19(29)25-27-11-23-17-8-4-2-6-13(17)21(27)31/h1-8,10-11,14-15H,9H2,(H,24,28)(H,25,29)
InChIKeyXXKHUXLFBJJPBU-UHFFFAOYSA-N
XLogP0.58
TPSA127.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-oxoquinazolin-3-yl)pentanamide
CID 27757903
4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide
CID 3691109
N-(4-oxoquinazolin-3-yl)-2-(4-phenylphenyl)acetamide
CID 26181771
1-(3-methoxyphenyl)-5-oxo-N-(4-oxoquinazolin-3-yl)pyrrolidine-3-carboxamide
CID 42884782
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-oxoquinazolin-3-yl)benzamide
CID 26181761
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(4-oxoquinazolin-3-yl)propanamide
CID 134061354
1-(5-bromothiophen-2-yl)sulfonyl-N-(4-oxoquinazolin-3-yl)piperidine-3-carboxamide
CID 24628250
1-(4-nitrophenyl)-3-(4-oxoquinazolin-3-yl)urea
CID 18961883
(2S)-2-(4-methylphenyl)sulfanyl-N-(4-oxoquinazolin-3-yl)propanamide
CID 27757908
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-oxoquinazolin-3-yl)propanamide
CID 134061353
4-ethyl-N-(4-oxoquinazolin-3-yl)thiadiazole-5-carboxamide
CID 75413353
2-[(5R)-3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(4-oxoquinazolin-3-yl)acetamide
CID 27271990

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(4-oxoquinazolin-3-yl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N,2-N-bis(4-oxoquinazolin-3-yl)cyclopropane-1,2-dicarboxamide (CID 166206906) is 1-N,2-N-bis(4-oxoquinazolin-3-yl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N,2-N-bis(4-oxoquinazolin-3-yl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N,2-N-bis(4-oxoquinazolin-3-yl)cyclopropane-1,2-dicarboxamide is O=C(Nn1cnc2ccccc2c1=O)C1CC1C(=O)Nn1cnc2ccccc2c1=O.
What is the InChIKey of 1-N,2-N-bis(4-oxoquinazolin-3-yl)cyclopropane-1,2-dicarboxamide?
The InChIKey is XXKHUXLFBJJPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O4/c28-18(24-26-10-22-16-7-3-1-5-12(16)20(26)30)14-9-15(14)19(29)25-27-11-23-17-8-4-2-6-13(17)21(27)31/h1-8,10-11,14-15H,9H2,(H,24,28)(H,25,29).
What are the key properties of 1-N,2-N-bis(4-oxoquinazolin-3-yl)cyclopropane-1,2-dicarboxamide?
1-N,2-N-bis(4-oxoquinazolin-3-yl)cyclopropane-1,2-dicarboxamide has a molecular weight of 416.40 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(4-oxoquinazolin-3-yl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 166206906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).