N-butyl-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide

C19H30N4O — CID 53193940

IUPACN-butyl-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCCCCNC(=O)C1CCc2nc(N3CCC(C)CC3)ncc2C1
InChIInChI=1S/C19H30N4O/c1-3-4-9-20-18(24)15-5-6-17-16(12-15)13-21-19(22-17)23-10-7-14(2)8-11-23/h13-15H,3-12H2,1-2H3,(H,20,24)
InChIKeyKNPBUGPPZVNTRS-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.73
Rot. Bonds5

About N-butyl-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide

N-butyl-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide (PubChem CID 53193940) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N-butyl-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
PubChem CID53193940
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN-butyl-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCCCCNC(=O)C1CCc2nc(N3CCC(C)CC3)ncc2C1
InChIInChI=1S/C19H30N4O/c1-3-4-9-20-18(24)15-5-6-17-16(12-15)13-21-19(22-17)23-10-7-14(2)8-11-23/h13-15H,3-12H2,1-2H3,(H,20,24)
InChIKeyKNPBUGPPZVNTRS-UHFFFAOYSA-N
XLogP2.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The IUPAC name of N-butyl-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide (CID 53193940) is N-butyl-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide.
What is the SMILES notation for N-butyl-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The canonical SMILES for N-butyl-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide is CCCCNC(=O)C1CCc2nc(N3CCC(C)CC3)ncc2C1.
What is the InChIKey of N-butyl-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The InChIKey is KNPBUGPPZVNTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-3-4-9-20-18(24)15-5-6-17-16(12-15)13-21-19(22-17)23-10-7-14(2)8-11-23/h13-15H,3-12H2,1-2H3,(H,20,24).
What are the key properties of N-butyl-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
N-butyl-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide is sourced from PubChem (CID 53193940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).