N-(1-hydroxybutan-2-yl)-1-quinazolin-4-ylpiperidine-4-carboxamide

C18H24N4O2 — CID 110436378

IUPACN-(1-hydroxybutan-2-yl)-1-quinazolin-4-ylpiperidine-4-carboxamide
SMILESCCC(CO)NC(=O)C1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C18H24N4O2/c1-2-14(11-23)21-18(24)13-7-9-22(10-8-13)17-15-5-3-4-6-16(15)19-12-20-17/h3-6,12-14,23H,2,7-11H2,1H3,(H,21,24)
InChIKeyZPYQWCHBWKWKSM-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.73
Rot. Bonds5

About N-(1-hydroxybutan-2-yl)-1-quinazolin-4-ylpiperidine-4-carboxamide

N-(1-hydroxybutan-2-yl)-1-quinazolin-4-ylpiperidine-4-carboxamide (PubChem CID 110436378) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-1-quinazolin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-1-quinazolin-4-ylpiperidine-4-carboxamide
PubChem CID110436378
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-(1-hydroxybutan-2-yl)-1-quinazolin-4-ylpiperidine-4-carboxamide
SMILESCCC(CO)NC(=O)C1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C18H24N4O2/c1-2-14(11-23)21-18(24)13-7-9-22(10-8-13)17-15-5-3-4-6-16(15)19-12-20-17/h3-6,12-14,23H,2,7-11H2,1H3,(H,21,24)
InChIKeyZPYQWCHBWKWKSM-UHFFFAOYSA-N
XLogP1.73
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-1-quinazolin-4-ylpiperidine-4-carboxamide
CID 47807499
N-(3-methylphenyl)-1-quinazolin-4-ylpiperidine-4-carboxamide
CID 110437338
N-[2-[(2-chlorophenyl)methoxy]phenyl]-1-quinazolin-4-ylpiperidine-4-carboxamide
CID 177461135
1-(4,6-dimethylpyrimidin-2-yl)-N-(1-hydroxybutan-2-yl)piperidine-4-carboxamide
CID 108793916
4-[4-(1-chloroethyl)piperidin-1-yl]quinazoline
CID 106838537
N-(2-hydroxyethyl)-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 110436254
1-(6-bromoquinazolin-4-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 87021026
N-butyl-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 49431629
1-(2-fluorophenyl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 17152735
4-(azepan-1-yl)quinazoline
CID 5207391
N-(cyclopropylmethyl)-1-quinazolin-4-ylpiperidin-4-amine
CID 115307565
N-hexan-2-yl-1-quinazolin-4-ylpyrrolidin-3-amine
CID 141430975

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-1-quinazolin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-1-quinazolin-4-ylpiperidine-4-carboxamide (CID 110436378) is N-(1-hydroxybutan-2-yl)-1-quinazolin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-1-quinazolin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-1-quinazolin-4-ylpiperidine-4-carboxamide is CCC(CO)NC(=O)C1CCN(c2ncnc3ccccc23)CC1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-1-quinazolin-4-ylpiperidine-4-carboxamide?
The InChIKey is ZPYQWCHBWKWKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-2-14(11-23)21-18(24)13-7-9-22(10-8-13)17-15-5-3-4-6-16(15)19-12-20-17/h3-6,12-14,23H,2,7-11H2,1H3,(H,21,24).
What are the key properties of N-(1-hydroxybutan-2-yl)-1-quinazolin-4-ylpiperidine-4-carboxamide?
N-(1-hydroxybutan-2-yl)-1-quinazolin-4-ylpiperidine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-1-quinazolin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 110436378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).