N-cyclohexyl-2-(diethylamino)-4-oxo-3-phenylquinazoline-7-carboxamide

C25H30N4O2 — CID 53052465

IUPACN-cyclohexyl-2-(diethylamino)-4-oxo-3-phenylquinazoline-7-carboxamide
SMILESCCN(CC)c1nc2cc(C(=O)NC3CCCCC3)ccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C25H30N4O2/c1-3-28(4-2)25-27-22-17-18(23(30)26-19-11-7-5-8-12-19)15-16-21(22)24(31)29(25)20-13-9-6-10-14-20/h6,9-10,13-17,19H,3-5,7-8,11-12H2,1-2H3,(H,26,30)
InChIKeyIDYVSAQQCCQWCT-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.29
Rot. Bonds6

About N-cyclohexyl-2-(diethylamino)-4-oxo-3-phenylquinazoline-7-carboxamide

N-cyclohexyl-2-(diethylamino)-4-oxo-3-phenylquinazoline-7-carboxamide (PubChem CID 53052465) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-cyclohexyl-2-(diethylamino)-4-oxo-3-phenylquinazoline-7-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(diethylamino)-4-oxo-3-phenylquinazoline-7-carboxamide
PubChem CID53052465
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-cyclohexyl-2-(diethylamino)-4-oxo-3-phenylquinazoline-7-carboxamide
SMILESCCN(CC)c1nc2cc(C(=O)NC3CCCCC3)ccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C25H30N4O2/c1-3-28(4-2)25-27-22-17-18(23(30)26-19-11-7-5-8-12-19)15-16-21(22)24(31)29(25)20-13-9-6-10-14-20/h6,9-10,13-17,19H,3-5,7-8,11-12H2,1-2H3,(H,26,30)
InChIKeyIDYVSAQQCCQWCT-UHFFFAOYSA-N
XLogP4.29
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(diethylamino)-4-oxo-3-phenylquinazoline-7-carboxamide?
The IUPAC name of N-cyclohexyl-2-(diethylamino)-4-oxo-3-phenylquinazoline-7-carboxamide (CID 53052465) is N-cyclohexyl-2-(diethylamino)-4-oxo-3-phenylquinazoline-7-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(diethylamino)-4-oxo-3-phenylquinazoline-7-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(diethylamino)-4-oxo-3-phenylquinazoline-7-carboxamide is CCN(CC)c1nc2cc(C(=O)NC3CCCCC3)ccc2c(=O)n1-c1ccccc1.
What is the InChIKey of N-cyclohexyl-2-(diethylamino)-4-oxo-3-phenylquinazoline-7-carboxamide?
The InChIKey is IDYVSAQQCCQWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-3-28(4-2)25-27-22-17-18(23(30)26-19-11-7-5-8-12-19)15-16-21(22)24(31)29(25)20-13-9-6-10-14-20/h6,9-10,13-17,19H,3-5,7-8,11-12H2,1-2H3,(H,26,30).
What are the key properties of N-cyclohexyl-2-(diethylamino)-4-oxo-3-phenylquinazoline-7-carboxamide?
N-cyclohexyl-2-(diethylamino)-4-oxo-3-phenylquinazoline-7-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(diethylamino)-4-oxo-3-phenylquinazoline-7-carboxamide is sourced from PubChem (CID 53052465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).