N-[4-(furan-2-yl)butan-2-yl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide

C22H30N4O2 — CID 53193910

IUPACN-[4-(furan-2-yl)butan-2-yl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCC(CCc1ccco1)NC(=O)C1CCc2nc(N3CCCCC3)ncc2C1
InChIInChI=1S/C22H30N4O2/c1-16(7-9-19-6-5-13-28-19)24-21(27)17-8-10-20-18(14-17)15-23-22(25-20)26-11-3-2-4-12-26/h5-6,13,15-17H,2-4,7-12,14H2,1H3,(H,24,27)
InChIKeyTVMLFQXVHQZMQL-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.30
Rot. Bonds6

About N-[4-(furan-2-yl)butan-2-yl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide

N-[4-(furan-2-yl)butan-2-yl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide (PubChem CID 53193910) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
PubChem CID53193910
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCC(CCc1ccco1)NC(=O)C1CCc2nc(N3CCCCC3)ncc2C1
InChIInChI=1S/C22H30N4O2/c1-16(7-9-19-6-5-13-28-19)24-21(27)17-8-10-20-18(14-17)15-23-22(25-20)26-11-3-2-4-12-26/h5-6,13,15-17H,2-4,7-12,14H2,1H3,(H,24,27)
InChIKeyTVMLFQXVHQZMQL-UHFFFAOYSA-N
XLogP3.30
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(furan-2-yl)butan-2-yl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide with MolForge

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 75414137
N-[4-(furan-2-yl)butan-2-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 23609720
(3R)-1-[4-(furan-2-yl)butan-2-ylcarbamoyl]piperidine-3-carboxylic acid
CID 81128264
(6S)-N-butyl-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 129369349
N-(2-methoxyphenyl)-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836103
(6R)-N-(2,3-dimethylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95111922
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide
CID 55405202
(6R)-2-(4-methylpiperidin-1-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95112085
N-[3-(N-methylanilino)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 53193917
(3S)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide
CID 81141055
N-[4-(furan-2-yl)butan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76896522
(6S)-N-[[4-(diethylamino)phenyl]methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95112007

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide (CID 53193910) is N-[4-(furan-2-yl)butan-2-yl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide is CC(CCc1ccco1)NC(=O)C1CCc2nc(N3CCCCC3)ncc2C1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The InChIKey is TVMLFQXVHQZMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-16(7-9-19-6-5-13-28-19)24-21(27)17-8-10-20-18(14-17)15-23-22(25-20)26-11-3-2-4-12-26/h5-6,13,15-17H,2-4,7-12,14H2,1H3,(H,24,27).
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
N-[4-(furan-2-yl)butan-2-yl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide is sourced from PubChem (CID 53193910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).