2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide

C18H19BrN4O2 — CID 27248645

IUPAC2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide
SMILESCN(C(=O)Cn1cnc2ccc(Br)cc2c1=O)C1(C#N)CCCCC1
InChIInChI=1S/C18H19BrN4O2/c1-22(18(11-20)7-3-2-4-8-18)16(24)10-23-12-21-15-6-5-13(19)9-14(15)17(23)25/h5-6,9,12H,2-4,7-8,10H2,1H3
InChIKeyLGGUAFSIFIRBKC-UHFFFAOYSA-N
MW403.28 g/mol
LogP2.84
Rot. Bonds3

About 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide (PubChem CID 27248645) has the molecular formula C18H19BrN4O2 and a molecular weight of 403.28 g/mol. Its IUPAC name is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide
PubChem CID27248645
Molecular FormulaC18H19BrN4O2
Molecular Weight403.28 g/mol
Exact Mass402.07
IUPAC Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide
SMILESCN(C(=O)Cn1cnc2ccc(Br)cc2c1=O)C1(C#N)CCCCC1
InChIInChI=1S/C18H19BrN4O2/c1-22(18(11-20)7-3-2-4-8-18)16(24)10-23-12-21-15-6-5-13(19)9-14(15)17(23)25/h5-6,9,12H,2-4,7-8,10H2,1H3
InChIKeyLGGUAFSIFIRBKC-UHFFFAOYSA-N
XLogP2.84
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide?
The IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide (CID 27248645) is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide.
What is the SMILES notation for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide?
The canonical SMILES for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide is CN(C(=O)Cn1cnc2ccc(Br)cc2c1=O)C1(C#N)CCCCC1.
What is the InChIKey of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide?
The InChIKey is LGGUAFSIFIRBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O2/c1-22(18(11-20)7-3-2-4-8-18)16(24)10-23-12-21-15-6-5-13(19)9-14(15)17(23)25/h5-6,9,12H,2-4,7-8,10H2,1H3.
What are the key properties of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide?
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide has a molecular weight of 403.28 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide is sourced from PubChem (CID 27248645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).