N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide

C25H29N5O4S — CID 46392050

IUPACN-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)C2CCN(S(=O)(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C25H29N5O4S/c1-18-26-23-7-3-2-6-22(23)25(32)30(18)21-10-8-20(9-11-21)27-24(31)19-12-16-29(17-13-19)35(33,34)28-14-4-5-15-28/h2-3,6-11,19H,4-5,12-17H2,1H3,(H,27,31)
InChIKeyGIEFINBROFMMJS-UHFFFAOYSA-N
MW495.61 g/mol
LogP2.69
Rot. Bonds5

About N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide

N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 46392050) has the molecular formula C25H29N5O4S and a molecular weight of 495.61 g/mol. Its IUPAC name is N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID46392050
Molecular FormulaC25H29N5O4S
Molecular Weight495.61 g/mol
Exact Mass495.19
IUPAC NameN-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)C2CCN(S(=O)(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C25H29N5O4S/c1-18-26-23-7-3-2-6-22(23)25(32)30(18)21-10-8-20(9-11-21)27-24(31)19-12-16-29(17-13-19)35(33,34)28-14-4-5-15-28/h2-3,6-11,19H,4-5,12-17H2,1H3,(H,27,31)
InChIKeyGIEFINBROFMMJS-UHFFFAOYSA-N
XLogP2.69
TPSA104.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.61
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(cyclopropanecarbonylamino)phenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46579082
N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7294898
2-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7294903
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]cyclopropanecarboxamide
CID 7593023
4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 39777242
3-bromo-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 43988551
N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-(3-methylphenyl)acetamide
CID 7294959
4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-piperidin-1-ylphenyl)benzamide
CID 43027483
3-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 7161308
1-methylsulfonyl-N-(4-pyrrol-1-ylphenyl)piperidine-4-carboxamide
CID 110726347
tert-butyl 4-[4-(2-methyl-4-oxoquinazolin-3-yl)phenoxy]piperidine-1-carboxylate
CID 23151302

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (CID 46392050) is N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)C2CCN(S(=O)(=O)N3CCCC3)CC2)cc1.
What is the InChIKey of N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is GIEFINBROFMMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4S/c1-18-26-23-7-3-2-6-22(23)25(32)30(18)21-10-8-20(9-11-21)27-24(31)19-12-16-29(17-13-19)35(33,34)28-14-4-5-15-28/h2-3,6-11,19H,4-5,12-17H2,1H3,(H,27,31).
What are the key properties of N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 495.61 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 46392050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).