1-(7-aminoquinazolin-4-yl)-N-methylpiperidine-3-carboxamide

C15H19N5O — CID 103194356

IUPAC1-(7-aminoquinazolin-4-yl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2ncnc3cc(N)ccc23)C1
InChIInChI=1S/C15H19N5O/c1-17-15(21)10-3-2-6-20(8-10)14-12-5-4-11(16)7-13(12)18-9-19-14/h4-5,7,9-10H,2-3,6,8,16H2,1H3,(H,17,21)
InChIKeyBRVIPKNPSHZVKS-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.17
Rot. Bonds2

About 1-(7-aminoquinazolin-4-yl)-N-methylpiperidine-3-carboxamide

1-(7-aminoquinazolin-4-yl)-N-methylpiperidine-3-carboxamide (PubChem CID 103194356) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(7-aminoquinazolin-4-yl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(7-aminoquinazolin-4-yl)-N-methylpiperidine-3-carboxamide
PubChem CID103194356
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-(7-aminoquinazolin-4-yl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2ncnc3cc(N)ccc23)C1
InChIInChI=1S/C15H19N5O/c1-17-15(21)10-3-2-6-20(8-10)14-12-5-4-11(16)7-13(12)18-9-19-14/h4-5,7,9-10H,2-3,6,8,16H2,1H3,(H,17,21)
InChIKeyBRVIPKNPSHZVKS-UHFFFAOYSA-N
XLogP1.17
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(azepan-1-yl)quinazolin-7-amine
CID 65336850
4-(azocan-1-yl)quinazolin-7-amine
CID 65337382
1-(3-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194412
1-[4-(7-aminoquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 65336927
3-amino-2-[3-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 103197754
1-[1-(7-aminoquinazolin-4-yl)piperidin-4-yl]ethanol
CID 106835289
(3S)-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 94184844
1-(3-amino-5-bromo-2-pyridinyl)-N-methylpiperidine-3-carboxamide
CID 103194325
N-tert-butyl-1-pyrido[3,4-d]pyrimidin-4-ylpiperidine-3-carboxamide
CID 166600895
N-cyclopropyl-1-(6,7-dimethoxyquinazolin-4-yl)piperidine-3-carboxamide
CID 165435283
4-[(3R)-3-methylpiperidin-1-yl]quinazoline-7-carboxylic acid
CID 1414117
N-(2-hydroxyethyl)-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 110436254

Frequently Asked Questions

What is the IUPAC name of 1-(7-aminoquinazolin-4-yl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(7-aminoquinazolin-4-yl)-N-methylpiperidine-3-carboxamide (CID 103194356) is 1-(7-aminoquinazolin-4-yl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(7-aminoquinazolin-4-yl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(7-aminoquinazolin-4-yl)-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(c2ncnc3cc(N)ccc23)C1.
What is the InChIKey of 1-(7-aminoquinazolin-4-yl)-N-methylpiperidine-3-carboxamide?
The InChIKey is BRVIPKNPSHZVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-17-15(21)10-3-2-6-20(8-10)14-12-5-4-11(16)7-13(12)18-9-19-14/h4-5,7,9-10H,2-3,6,8,16H2,1H3,(H,17,21).
What are the key properties of 1-(7-aminoquinazolin-4-yl)-N-methylpiperidine-3-carboxamide?
1-(7-aminoquinazolin-4-yl)-N-methylpiperidine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-aminoquinazolin-4-yl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103194356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).