N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclohexanecarboxamide

C17H23N3O2 — CID 6456185

IUPACN-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclohexanecarboxamide
SMILESCC1(C)CC(=O)c2cnc(NC(=O)C3CCCCC3)nc2C1
InChIInChI=1S/C17H23N3O2/c1-17(2)8-13-12(14(21)9-17)10-18-16(19-13)20-15(22)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,18,19,20,22)
InChIKeyMBDYWOZBEJJCRE-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.15
Rot. Bonds2

About N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclohexanecarboxamide

N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclohexanecarboxamide (PubChem CID 6456185) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclohexanecarboxamide
PubChem CID6456185
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclohexanecarboxamide
SMILESCC1(C)CC(=O)c2cnc(NC(=O)C3CCCCC3)nc2C1
InChIInChI=1S/C17H23N3O2/c1-17(2)8-13-12(14(21)9-17)10-18-16(19-13)20-15(22)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,18,19,20,22)
InChIKeyMBDYWOZBEJJCRE-UHFFFAOYSA-N
XLogP3.15
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 2055840
N-(2-cyclopropyl-2-methylcyclopropyl)-7,7-dimethyl-5-oxo-6,8-dihydroquinazoline-2-carboxamide
CID 171985864
N-[(7R)-7-(3-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]cyclopropanecarboxamide
CID 7354491
4-amino-2-(cyclohexylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 66507778
7,7-dimethyl-2-(6-methyl-3-pyridinyl)-6,8-dihydroquinazolin-5-one
CID 104823206
tert-butyl N-[(5E)-5-hydroxyimino-7,7-dimethyl-6,8-dihydroquinazolin-2-yl]carbamate
CID 178188903
N-(5-iodo-2-pyridinyl)cyclooctanecarboxamide
CID 65098737
N-(5-amino-2-pyridinyl)cycloheptanecarboxamide
CID 62586115
N-(5-iodo-2-pyridinyl)cyclohexanecarboxamide
CID 65098987
1-cyclohexyl-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 3637915
2-[2-(diethylamino)ethyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 62009664
7,7-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-6,8-dihydroquinazolin-5-one
CID 1401946

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclohexanecarboxamide (CID 6456185) is N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclohexanecarboxamide is CC1(C)CC(=O)c2cnc(NC(=O)C3CCCCC3)nc2C1.
What is the InChIKey of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclohexanecarboxamide?
The InChIKey is MBDYWOZBEJJCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-17(2)8-13-12(14(21)9-17)10-18-16(19-13)20-15(22)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,18,19,20,22).
What are the key properties of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclohexanecarboxamide?
N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclohexanecarboxamide has a molecular weight of 301.39 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 6456185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).