2-[2-(3-chlorophenyl)-4-oxo-6-[2-(piperidin-1-ylmethyl)cyclopropyl]quinazolin-3-yl]-N-propan-2-ylacetamide

C28H33ClN4O2 — CID 118915232

IUPAC2-[2-(3-chlorophenyl)-4-oxo-6-[2-(piperidin-1-ylmethyl)cyclopropyl]quinazolin-3-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(C3CC3CN3CCCCC3)cc2c1=O
InChIInChI=1S/C28H33ClN4O2/c1-18(2)30-26(34)17-33-27(20-7-6-8-22(29)13-20)31-25-10-9-19(14-24(25)28(33)35)23-15-21(23)16-32-11-4-3-5-12-32/h6-10,13-14,18,21,23H,3-5,11-12,15-17H2,1-2H3,(H,30,34)
InChIKeyKCAILXZSCSSEHK-UHFFFAOYSA-N
MW493.05 g/mol
LogP4.83
Rot. Bonds7

About 2-[2-(3-chlorophenyl)-4-oxo-6-[2-(piperidin-1-ylmethyl)cyclopropyl]quinazolin-3-yl]-N-propan-2-ylacetamide

2-[2-(3-chlorophenyl)-4-oxo-6-[2-(piperidin-1-ylmethyl)cyclopropyl]quinazolin-3-yl]-N-propan-2-ylacetamide (PubChem CID 118915232) has the molecular formula C28H33ClN4O2 and a molecular weight of 493.05 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-4-oxo-6-[2-(piperidin-1-ylmethyl)cyclopropyl]quinazolin-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-4-oxo-6-[2-(piperidin-1-ylmethyl)cyclopropyl]quinazolin-3-yl]-N-propan-2-ylacetamide
PubChem CID118915232
Molecular FormulaC28H33ClN4O2
Molecular Weight493.05 g/mol
Exact Mass492.23
IUPAC Name2-[2-(3-chlorophenyl)-4-oxo-6-[2-(piperidin-1-ylmethyl)cyclopropyl]quinazolin-3-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(C3CC3CN3CCCCC3)cc2c1=O
InChIInChI=1S/C28H33ClN4O2/c1-18(2)30-26(34)17-33-27(20-7-6-8-22(29)13-20)31-25-10-9-19(14-24(25)28(33)35)23-15-21(23)16-32-11-4-3-5-12-32/h6-10,13-14,18,21,23H,3-5,11-12,15-17H2,1-2H3,(H,30,34)
InChIKeyKCAILXZSCSSEHK-UHFFFAOYSA-N
XLogP4.83
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.05
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-chlorophenyl)-6-[3-[(4,4-difluoropiperidin-1-yl)methyl]cyclobutyl]-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 118915265
2-[2-(3-chlorophenyl)-4-oxo-6-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)quinazolin-3-yl]-N-propan-2-ylacetamide
CID 67417723
2-[2-(3-chlorophenyl)-6-[3-(2-methylpyrrolidin-1-yl)propoxy]-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 68688604
2-[2-(3-methoxyphenyl)-4-oxo-6-(4-pyrrolidin-1-ylbut-1-enyl)quinazolin-3-yl]-N-propan-2-ylacetamide
CID 68522664
2-[2-(3-ethylphenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]-N-propan-2-ylacetamide
CID 68525546
2-[4-oxo-6-(3-piperidin-1-ylpropoxy)-2-[3-(trifluoromethoxy)phenyl]quinazolin-3-yl]-N-propan-2-ylacetamide
CID 68521682
2-[2-(3,5-dichlorophenyl)-4-oxo-6-(4-propan-2-yl-1,4-diazepan-1-yl)quinazolin-3-yl]-N-propan-2-ylacetamide
CID 59518966
2-[2-(3-methoxyphenyl)-4-oxo-7-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]-N-propan-2-ylacetamide
CID 68522971
2-[2-(3-methoxyphenyl)-6-[3-(morpholin-4-ylmethyl)phenyl]-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 59511779
2-[6-(3-hydroxy-2-methylpropoxy)-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 68523585
2-[2-(3-methoxyphenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]-N-methylacetamide
CID 53316999
2-[6-hydroxy-7-methoxy-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 68525567

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-4-oxo-6-[2-(piperidin-1-ylmethyl)cyclopropyl]quinazolin-3-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)-4-oxo-6-[2-(piperidin-1-ylmethyl)cyclopropyl]quinazolin-3-yl]-N-propan-2-ylacetamide (CID 118915232) is 2-[2-(3-chlorophenyl)-4-oxo-6-[2-(piperidin-1-ylmethyl)cyclopropyl]quinazolin-3-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-4-oxo-6-[2-(piperidin-1-ylmethyl)cyclopropyl]quinazolin-3-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)-4-oxo-6-[2-(piperidin-1-ylmethyl)cyclopropyl]quinazolin-3-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(C3CC3CN3CCCCC3)cc2c1=O.
What is the InChIKey of 2-[2-(3-chlorophenyl)-4-oxo-6-[2-(piperidin-1-ylmethyl)cyclopropyl]quinazolin-3-yl]-N-propan-2-ylacetamide?
The InChIKey is KCAILXZSCSSEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClN4O2/c1-18(2)30-26(34)17-33-27(20-7-6-8-22(29)13-20)31-25-10-9-19(14-24(25)28(33)35)23-15-21(23)16-32-11-4-3-5-12-32/h6-10,13-14,18,21,23H,3-5,11-12,15-17H2,1-2H3,(H,30,34).
What are the key properties of 2-[2-(3-chlorophenyl)-4-oxo-6-[2-(piperidin-1-ylmethyl)cyclopropyl]quinazolin-3-yl]-N-propan-2-ylacetamide?
2-[2-(3-chlorophenyl)-4-oxo-6-[2-(piperidin-1-ylmethyl)cyclopropyl]quinazolin-3-yl]-N-propan-2-ylacetamide has a molecular weight of 493.05 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-4-oxo-6-[2-(piperidin-1-ylmethyl)cyclopropyl]quinazolin-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 118915232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).