2-chloro-N-[4-(methylcarbamoyl)cyclohexyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide

C17H23ClN4O2 — CID 172628139

IUPAC2-chloro-N-[4-(methylcarbamoyl)cyclohexyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
SMILESCNC(=O)C1CCC(NC(=O)c2nc(Cl)nc3c2CCCC3)CC1
InChIInChI=1S/C17H23ClN4O2/c1-19-15(23)10-6-8-11(9-7-10)20-16(24)14-12-4-2-3-5-13(12)21-17(18)22-14/h10-11H,2-9H2,1H3,(H,19,23)(H,20,24)
InChIKeyKRGVAMJKQDRCRE-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.04
Rot. Bonds3

About 2-chloro-N-[4-(methylcarbamoyl)cyclohexyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide

2-chloro-N-[4-(methylcarbamoyl)cyclohexyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide (PubChem CID 172628139) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is 2-chloro-N-[4-(methylcarbamoyl)cyclohexyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[4-(methylcarbamoyl)cyclohexyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
PubChem CID172628139
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name2-chloro-N-[4-(methylcarbamoyl)cyclohexyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
SMILESCNC(=O)C1CCC(NC(=O)c2nc(Cl)nc3c2CCCC3)CC1
InChIInChI=1S/C17H23ClN4O2/c1-19-15(23)10-6-8-11(9-7-10)20-16(24)14-12-4-2-3-5-13(12)21-17(18)22-14/h10-11H,2-9H2,1H3,(H,19,23)(H,20,24)
InChIKeyKRGVAMJKQDRCRE-UHFFFAOYSA-N
XLogP2.04
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(methylcarbamoyl)cyclohexyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
The IUPAC name of 2-chloro-N-[4-(methylcarbamoyl)cyclohexyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide (CID 172628139) is 2-chloro-N-[4-(methylcarbamoyl)cyclohexyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[4-(methylcarbamoyl)cyclohexyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
The canonical SMILES for 2-chloro-N-[4-(methylcarbamoyl)cyclohexyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide is CNC(=O)C1CCC(NC(=O)c2nc(Cl)nc3c2CCCC3)CC1.
What is the InChIKey of 2-chloro-N-[4-(methylcarbamoyl)cyclohexyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
The InChIKey is KRGVAMJKQDRCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O2/c1-19-15(23)10-6-8-11(9-7-10)20-16(24)14-12-4-2-3-5-13(12)21-17(18)22-14/h10-11H,2-9H2,1H3,(H,19,23)(H,20,24).
What are the key properties of 2-chloro-N-[4-(methylcarbamoyl)cyclohexyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
2-chloro-N-[4-(methylcarbamoyl)cyclohexyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide has a molecular weight of 350.85 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(methylcarbamoyl)cyclohexyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide is sourced from PubChem (CID 172628139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).