N-ethyl-1-(7-methoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide

C23H32N4O3 — CID 45174732

IUPACN-ethyl-1-(7-methoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
SMILESCCN(CC1CCCO1)C(=O)C1CCCN(c2nc(C)c3ccc(OC)cc3n2)C1
InChIInChI=1S/C23H32N4O3/c1-4-26(15-19-8-6-12-30-19)22(28)17-7-5-11-27(14-17)23-24-16(2)20-10-9-18(29-3)13-21(20)25-23/h9-10,13,17,19H,4-8,11-12,14-15H2,1-3H3
InChIKeyREOIBOGOHLJUDK-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.19
Rot. Bonds6

About N-ethyl-1-(7-methoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide

N-ethyl-1-(7-methoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 45174732) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-ethyl-1-(7-methoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(7-methoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
PubChem CID45174732
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC NameN-ethyl-1-(7-methoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
SMILESCCN(CC1CCCO1)C(=O)C1CCCN(c2nc(C)c3ccc(OC)cc3n2)C1
InChIInChI=1S/C23H32N4O3/c1-4-26(15-19-8-6-12-30-19)22(28)17-7-5-11-27(14-17)23-24-16(2)20-10-9-18(29-3)13-21(20)25-23/h9-10,13,17,19H,4-8,11-12,14-15H2,1-3H3
InChIKeyREOIBOGOHLJUDK-UHFFFAOYSA-N
XLogP3.19
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopropylmethyl)-1-(4,7-dimethylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 45179708
1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)-N-propylpiperidine-3-carboxamide
CID 45216484
(3R)-N-(2-methoxyethyl)-1-(7-methoxy-4-methylquinazolin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 26278572
1-[(3S)-1-[(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-3-carbonyl]piperidin-3-yl]propan-1-one
CID 42164315
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-3-yl]methanone
CID 45185896
N-ethyl-7-methoxy-2-methyl-N-[[(2R)-oxan-2-yl]methyl]quinoline-4-carboxamide
CID 125165062
1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid
CID 118759012
(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide
CID 42190788
(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-3-carboxamide
CID 42275679
(3S)-N-(cyclopropylmethyl)-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-propylpiperidine-3-carboxamide
CID 42211653
2-methoxy-N-[(7-methoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 42166967
1-(7-methoxy-4-methylquinolin-2-yl)piperidine-3-carboxamide
CID 172900595

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(7-methoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of N-ethyl-1-(7-methoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide (CID 45174732) is N-ethyl-1-(7-methoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(7-methoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-(7-methoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide is CCN(CC1CCCO1)C(=O)C1CCCN(c2nc(C)c3ccc(OC)cc3n2)C1.
What is the InChIKey of N-ethyl-1-(7-methoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is REOIBOGOHLJUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-4-26(15-19-8-6-12-30-19)22(28)17-7-5-11-27(14-17)23-24-16(2)20-10-9-18(29-3)13-21(20)25-23/h9-10,13,17,19H,4-8,11-12,14-15H2,1-3H3.
What are the key properties of N-ethyl-1-(7-methoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide?
N-ethyl-1-(7-methoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(7-methoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 45174732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).