(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide

C23H28N4O2S — CID 42190788

IUPAC(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide
SMILESCC[C@@H](NC(=O)[C@H]1CCCN(c2nc(C)c3ccc(OC)cc3n2)C1)c1cccs1
InChIInChI=1S/C23H28N4O2S/c1-4-19(21-8-6-12-30-21)25-22(28)16-7-5-11-27(14-16)23-24-15(2)18-10-9-17(29-3)13-20(18)26-23/h6,8-10,12-13,16,19H,4-5,7,11,14H2,1-3H3,(H,25,28)/t16-,19+/m0/s1
InChIKeyCOFOPRKDXVHLAX-QFBILLFUSA-N
MW424.57 g/mol
LogP4.49
Rot. Bonds6

About (3S)-1-(7-methoxy-4-methylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide

(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide (PubChem CID 42190788) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is (3S)-1-(7-methoxy-4-methylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide
PubChem CID42190788
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC Name(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide
SMILESCC[C@@H](NC(=O)[C@H]1CCCN(c2nc(C)c3ccc(OC)cc3n2)C1)c1cccs1
InChIInChI=1S/C23H28N4O2S/c1-4-19(21-8-6-12-30-21)25-22(28)16-7-5-11-27(14-16)23-24-15(2)18-10-9-17(29-3)13-20(18)26-23/h6,8-10,12-13,16,19H,4-5,7,11,14H2,1-3H3,(H,25,28)/t16-,19+/m0/s1
InChIKeyCOFOPRKDXVHLAX-QFBILLFUSA-N
XLogP4.49
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-1-(7-methoxy-4-methylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-[(3S)-1-[(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-3-carbonyl]piperidin-3-yl]propan-1-one
CID 42164315
(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-3-carboxamide
CID 42275679
(3S)-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 42169579
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 45177308
(3R)-N-(2-methoxyethyl)-1-(7-methoxy-4-methylquinazolin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 26278572
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-3-yl]methanone
CID 45185896
N-ethyl-1-(7-methoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 45174732
1-(4,7-dimethylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-4-carboxamide
CID 42274559
1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid
CID 118759012
(3S)-N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide
CID 42369759
1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-thiophen-2-ylethyl)piperidin-4-amine
CID 126464393
1-(4,7-dimethylquinazolin-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 45172556

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(7-methoxy-4-methylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(7-methoxy-4-methylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide (CID 42190788) is (3S)-1-(7-methoxy-4-methylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(7-methoxy-4-methylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(7-methoxy-4-methylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide is CC[C@@H](NC(=O)[C@H]1CCCN(c2nc(C)c3ccc(OC)cc3n2)C1)c1cccs1.
What is the InChIKey of (3S)-1-(7-methoxy-4-methylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide?
The InChIKey is COFOPRKDXVHLAX-QFBILLFUSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-4-19(21-8-6-12-30-21)25-22(28)16-7-5-11-27(14-16)23-24-15(2)18-10-9-17(29-3)13-20(18)26-23/h6,8-10,12-13,16,19H,4-5,7,11,14H2,1-3H3,(H,25,28)/t16-,19+/m0/s1.
What are the key properties of (3S)-1-(7-methoxy-4-methylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide?
(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide has a molecular weight of 424.57 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(7-methoxy-4-methylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide is sourced from PubChem (CID 42190788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).