2-(4-chlorophenyl)-N-[3-(hydroxymethyl)cyclobutyl]-4-propylquinazoline-7-carboxamide

C23H24ClN3O2 — CID 122423833

IUPAC2-(4-chlorophenyl)-N-[3-(hydroxymethyl)cyclobutyl]-4-propylquinazoline-7-carboxamide
SMILESCCCc1nc(-c2ccc(Cl)cc2)nc2cc(C(=O)NC3CC(CO)C3)ccc12
InChIInChI=1S/C23H24ClN3O2/c1-2-3-20-19-9-6-16(23(29)25-18-10-14(11-18)13-28)12-21(19)27-22(26-20)15-4-7-17(24)8-5-15/h4-9,12,14,18,28H,2-3,10-11,13H2,1H3,(H,25,29)
InChIKeyAFJQNLVZKGCMJY-UHFFFAOYSA-N
MW409.92 g/mol
LogP4.40
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[3-(hydroxymethyl)cyclobutyl]-4-propylquinazoline-7-carboxamide

2-(4-chlorophenyl)-N-[3-(hydroxymethyl)cyclobutyl]-4-propylquinazoline-7-carboxamide (PubChem CID 122423833) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-(hydroxymethyl)cyclobutyl]-4-propylquinazoline-7-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-(hydroxymethyl)cyclobutyl]-4-propylquinazoline-7-carboxamide
PubChem CID122423833
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC Name2-(4-chlorophenyl)-N-[3-(hydroxymethyl)cyclobutyl]-4-propylquinazoline-7-carboxamide
SMILESCCCc1nc(-c2ccc(Cl)cc2)nc2cc(C(=O)NC3CC(CO)C3)ccc12
InChIInChI=1S/C23H24ClN3O2/c1-2-3-20-19-9-6-16(23(29)25-18-10-14(11-18)13-28)12-21(19)27-22(26-20)15-4-7-17(24)8-5-15/h4-9,12,14,18,28H,2-3,10-11,13H2,1H3,(H,25,29)
InChIKeyAFJQNLVZKGCMJY-UHFFFAOYSA-N
XLogP4.40
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide
CID 97039827
4-chloro-N-(4-propylcyclohexyl)benzamide
CID 10612734
3-[1-(4-chlorophenyl)phthalazin-6-yl]-N-cyclopropyl-4-methylbenzamide
CID 11848510
5-bromo-2-(4-chlorophenyl)-N,6-dipropylpyrimidin-4-amine
CID 66305370
3-[(2,4-dimethylquinoline-7-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 121496875
4-chloro-N-[(1R,5R,6S)-3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]benzamide
CID 138012678
4-chloro-N-[3-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide
CID 167915483
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-cyclopentyl-3-[(4-methylphenyl)methyl]-4-oxoquinazoline-7-carboxamide
CID 46284504
2-(4-chlorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66305986
4-chloro-2-(4-chlorophenyl)-6-propylquinazoline
CID 114590719
3-[3-[(4-propylbenzoyl)amino]cyclobutyl]propanoic acid
CID 166262478
4-[[3-(hydroxymethyl)cyclobutyl]carbamoyl]-3-(trifluoromethyl)benzoic acid
CID 167761744

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-(hydroxymethyl)cyclobutyl]-4-propylquinazoline-7-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-(hydroxymethyl)cyclobutyl]-4-propylquinazoline-7-carboxamide (CID 122423833) is 2-(4-chlorophenyl)-N-[3-(hydroxymethyl)cyclobutyl]-4-propylquinazoline-7-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-(hydroxymethyl)cyclobutyl]-4-propylquinazoline-7-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-(hydroxymethyl)cyclobutyl]-4-propylquinazoline-7-carboxamide is CCCc1nc(-c2ccc(Cl)cc2)nc2cc(C(=O)NC3CC(CO)C3)ccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-(hydroxymethyl)cyclobutyl]-4-propylquinazoline-7-carboxamide?
The InChIKey is AFJQNLVZKGCMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c1-2-3-20-19-9-6-16(23(29)25-18-10-14(11-18)13-28)12-21(19)27-22(26-20)15-4-7-17(24)8-5-15/h4-9,12,14,18,28H,2-3,10-11,13H2,1H3,(H,25,29).
What are the key properties of 2-(4-chlorophenyl)-N-[3-(hydroxymethyl)cyclobutyl]-4-propylquinazoline-7-carboxamide?
2-(4-chlorophenyl)-N-[3-(hydroxymethyl)cyclobutyl]-4-propylquinazoline-7-carboxamide has a molecular weight of 409.92 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-(hydroxymethyl)cyclobutyl]-4-propylquinazoline-7-carboxamide is sourced from PubChem (CID 122423833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).