N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-1-prop-2-enoylpiperidine-4-carboxamide

C19H22N4O3 — CID 166404777

IUPACN-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)NCc2nc3ccccc3c(=O)n2C)CC1
InChIInChI=1S/C19H22N4O3/c1-3-17(24)23-10-8-13(9-11-23)18(25)20-12-16-21-15-7-5-4-6-14(15)19(26)22(16)2/h3-7,13H,1,8-12H2,2H3,(H,20,25)
InChIKeyREYSQXXEPQAYNV-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.97
Rot. Bonds4

About N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-1-prop-2-enoylpiperidine-4-carboxamide

N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-1-prop-2-enoylpiperidine-4-carboxamide (PubChem CID 166404777) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-1-prop-2-enoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-1-prop-2-enoylpiperidine-4-carboxamide
PubChem CID166404777
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)NCc2nc3ccccc3c(=O)n2C)CC1
InChIInChI=1S/C19H22N4O3/c1-3-17(24)23-10-8-13(9-11-23)18(25)20-12-16-21-15-7-5-4-6-14(15)19(26)22(16)2/h3-7,13H,1,8-12H2,2H3,(H,20,25)
InChIKeyREYSQXXEPQAYNV-UHFFFAOYSA-N
XLogP0.97
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166416108
N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]cyclohexanecarboxamide
CID 110351985
(3S)-N-benzyl-1-prop-2-enoylpyrrolidine-3-carboxamide
CID 170709592
methyl N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]carbamate
CID 110352045
N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]pyridine-4-carboxamide
CID 84513157
3,4-difluoro-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzamide
CID 110352040
1-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 97352945
ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one
CID 91302678
N-cyclopropyl-4-[3-[(3-methyl-4-oxoquinazolin-2-yl)methylamino]-3-oxoprop-1-enyl]benzamide
CID 91944049
1-(4-chlorophenyl)-3-[(3-methyl-4-oxoquinazolin-2-yl)methyl]urea
CID 110352028
N-[(2,3,4,5,6-pentafluorophenyl)methyl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166405641
2-(bromomethyl)-3-methylquinazolin-4-one
CID 15707759

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-1-prop-2-enoylpiperidine-4-carboxamide?
The IUPAC name of N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-1-prop-2-enoylpiperidine-4-carboxamide (CID 166404777) is N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-1-prop-2-enoylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-1-prop-2-enoylpiperidine-4-carboxamide?
The canonical SMILES for N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-1-prop-2-enoylpiperidine-4-carboxamide is C=CC(=O)N1CCC(C(=O)NCc2nc3ccccc3c(=O)n2C)CC1.
What is the InChIKey of N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-1-prop-2-enoylpiperidine-4-carboxamide?
The InChIKey is REYSQXXEPQAYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-3-17(24)23-10-8-13(9-11-23)18(25)20-12-16-21-15-7-5-4-6-14(15)19(26)22(16)2/h3-7,13H,1,8-12H2,2H3,(H,20,25).
What are the key properties of N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-1-prop-2-enoylpiperidine-4-carboxamide?
N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-1-prop-2-enoylpiperidine-4-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-1-prop-2-enoylpiperidine-4-carboxamide is sourced from PubChem (CID 166404777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).