1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)-N-propylpiperidine-3-carboxamide

C24H34N4O4S — CID 45216484

IUPAC1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)-N-propylpiperidine-3-carboxamide
SMILESCCCN(CC1CCCO1)C(=O)C1CCCN(c2nc(C)c3ccc(S(C)(=O)=O)cc3n2)C1
InChIInChI=1S/C24H34N4O4S/c1-4-11-27(16-19-8-6-13-32-19)23(29)18-7-5-12-28(15-18)24-25-17(2)21-10-9-20(33(3,30)31)14-22(21)26-24/h9-10,14,18-19H,4-8,11-13,15-16H2,1-3H3
InChIKeyPJDXLFDSPMSXRB-UHFFFAOYSA-N
MW474.63 g/mol
LogP2.98
Rot. Bonds7

About 1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)-N-propylpiperidine-3-carboxamide

1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)-N-propylpiperidine-3-carboxamide (PubChem CID 45216484) has the molecular formula C24H34N4O4S and a molecular weight of 474.63 g/mol. Its IUPAC name is 1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)-N-propylpiperidine-3-carboxamide
PubChem CID45216484
Molecular FormulaC24H34N4O4S
Molecular Weight474.63 g/mol
Exact Mass474.23
IUPAC Name1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)-N-propylpiperidine-3-carboxamide
SMILESCCCN(CC1CCCO1)C(=O)C1CCCN(c2nc(C)c3ccc(S(C)(=O)=O)cc3n2)C1
InChIInChI=1S/C24H34N4O4S/c1-4-11-27(16-19-8-6-13-32-19)23(29)18-7-5-12-28(15-18)24-25-17(2)21-10-9-20(33(3,30)31)14-22(21)26-24/h9-10,14,18-19H,4-8,11-13,15-16H2,1-3H3
InChIKeyPJDXLFDSPMSXRB-UHFFFAOYSA-N
XLogP2.98
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.63
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-N-(cyclopropylmethyl)-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-propylpiperidine-3-carboxamide
CID 42211653
N-ethyl-1-(7-methoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 45174732
N-(cyclopropylmethyl)-1-(4,7-dimethylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 45179708
N-cyclopropyl-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide
CID 118754402
N-(cyclohexylmethyl)-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide
CID 45179400
(3R)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide
CID 124808633
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide
CID 45198595
(3S)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide
CID 124808634
N-(3-hydroxy-2,2-dimethylpropyl)-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide
CID 45170878
(3S)-N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide
CID 42369759
N-[2-(3-fluorophenyl)ethyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide
CID 45171020
N-butyl-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-4-carboxamide
CID 42452627

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)-N-propylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)-N-propylpiperidine-3-carboxamide (CID 45216484) is 1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)-N-propylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)-N-propylpiperidine-3-carboxamide is CCCN(CC1CCCO1)C(=O)C1CCCN(c2nc(C)c3ccc(S(C)(=O)=O)cc3n2)C1.
What is the InChIKey of 1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)-N-propylpiperidine-3-carboxamide?
The InChIKey is PJDXLFDSPMSXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4S/c1-4-11-27(16-19-8-6-13-32-19)23(29)18-7-5-12-28(15-18)24-25-17(2)21-10-9-20(33(3,30)31)14-22(21)26-24/h9-10,14,18-19H,4-8,11-13,15-16H2,1-3H3.
What are the key properties of 1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)-N-propylpiperidine-3-carboxamide?
1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)-N-propylpiperidine-3-carboxamide has a molecular weight of 474.63 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 45216484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).