7-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-3-methylquinazolin-4-one

C19H25N3O3 — CID 97144465

IUPAC7-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-3-methylquinazolin-4-one
SMILESCOCCC[C@H]1CCCCN1C(=O)c1ccc2c(=O)n(C)cnc2c1
InChIInChI=1S/C19H25N3O3/c1-21-13-20-17-12-14(8-9-16(17)19(21)24)18(23)22-10-4-3-6-15(22)7-5-11-25-2/h8-9,12-13,15H,3-7,10-11H2,1-2H3/t15-/m1/s1
InChIKeyHJUHSPUCBDYRRE-OAHLLOKOSA-N
MW343.43 g/mol
LogP2.35
Rot. Bonds5

About 7-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-3-methylquinazolin-4-one

7-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-3-methylquinazolin-4-one (PubChem CID 97144465) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 7-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name7-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-3-methylquinazolin-4-one
PubChem CID97144465
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name7-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-3-methylquinazolin-4-one
SMILESCOCCC[C@H]1CCCCN1C(=O)c1ccc2c(=O)n(C)cnc2c1
InChIInChI=1S/C19H25N3O3/c1-21-13-20-17-12-14(8-9-16(17)19(21)24)18(23)22-10-4-3-6-15(22)7-5-11-25-2/h8-9,12-13,15H,3-7,10-11H2,1-2H3/t15-/m1/s1
InChIKeyHJUHSPUCBDYRRE-OAHLLOKOSA-N
XLogP2.35
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,1,3-benzoxadiazol-5-yl-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97147736
[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 96579719
[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone
CID 126425707
[(2S)-2-(3-methoxypropyl)piperidin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone
CID 126425708
(3-fluoro-4-methylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 96575750
3-[(2R)-1-(1-methylbenzimidazole-5-carbonyl)piperidin-2-yl]propanoic acid
CID 164641999
[4-(4-methoxyphenoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 131946602
7-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-3-methylquinazolin-4-one
CID 138382545
[(2S)-2-(azepan-1-ylmethyl)piperidin-1-yl]-[1-(2-methoxyethyl)benzimidazol-5-yl]methanone
CID 92611389
(4-methoxy-3-morpholin-4-ylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97113189
[4-(3-fluoro-2-pyridinyl)phenyl]-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 126423940
[2-(methoxymethyl)azetidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone
CID 136545306

Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-3-methylquinazolin-4-one?
The IUPAC name of 7-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-3-methylquinazolin-4-one (CID 97144465) is 7-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 7-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-3-methylquinazolin-4-one?
The canonical SMILES for 7-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-3-methylquinazolin-4-one is COCCC[C@H]1CCCCN1C(=O)c1ccc2c(=O)n(C)cnc2c1.
What is the InChIKey of 7-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-3-methylquinazolin-4-one?
The InChIKey is HJUHSPUCBDYRRE-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-21-13-20-17-12-14(8-9-16(17)19(21)24)18(23)22-10-4-3-6-15(22)7-5-11-25-2/h8-9,12-13,15H,3-7,10-11H2,1-2H3/t15-/m1/s1.
What are the key properties of 7-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-3-methylquinazolin-4-one?
7-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-3-methylquinazolin-4-one has a molecular weight of 343.43 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 97144465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).