4-(4-imidazol-1-ylpiperidin-1-yl)quinazoline

C16H17N5 — CID 133279857

IUPAC4-(4-imidazol-1-ylpiperidin-1-yl)quinazoline
SMILESc1ccc2c(N3CCC(n4ccnc4)CC3)ncnc2c1
InChIInChI=1S/C16H17N5/c1-2-4-15-14(3-1)16(19-11-18-15)20-8-5-13(6-9-20)21-10-7-17-12-21/h1-4,7,10-13H,5-6,8-9H2
InChIKeyXNCAUEKCPMJZIF-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.67
Rot. Bonds2

About 4-(4-imidazol-1-ylpiperidin-1-yl)quinazoline

4-(4-imidazol-1-ylpiperidin-1-yl)quinazoline (PubChem CID 133279857) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 4-(4-imidazol-1-ylpiperidin-1-yl)quinazoline.

Molecular Properties

Compound Name4-(4-imidazol-1-ylpiperidin-1-yl)quinazoline
PubChem CID133279857
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name4-(4-imidazol-1-ylpiperidin-1-yl)quinazoline
SMILESc1ccc2c(N3CCC(n4ccnc4)CC3)ncnc2c1
InChIInChI=1S/C16H17N5/c1-2-4-15-14(3-1)16(19-11-18-15)20-8-5-13(6-9-20)21-10-7-17-12-21/h1-4,7,10-13H,5-6,8-9H2
InChIKeyXNCAUEKCPMJZIF-UHFFFAOYSA-N
XLogP2.67
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-imidazol-1-ylpiperidin-1-yl)pyridine
CID 56788029
4-(azepan-1-yl)quinazoline
CID 5207391
4-(4-benzylpiperidin-1-yl)quinazoline
CID 1413843
4-[4-(1-chloroethyl)piperidin-1-yl]quinazoline
CID 106838537
4-(3-chloro-4-methylpiperidin-1-yl)quinazoline
CID 102960852
N-(cyclopropylmethyl)-1-quinazolin-4-ylpiperidin-4-amine
CID 115307565
(2S)-2-methyl-4-(1-quinazolin-4-ylpiperidin-4-yl)morpholine
CID 95580716
4-(4-imidazo[1,2-a]pyrazin-8-ylpiperazin-1-yl)quinazoline
CID 166605534
4-[4-(azetidin-3-yl)piperazin-1-yl]quinazoline
CID 66202594
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)quinazoline
CID 49227812
4-[3-(2-chloroethyl)pyrrolidin-1-yl]quinazoline
CID 114800924
4-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]quinazoline
CID 95155089

Frequently Asked Questions

What is the IUPAC name of 4-(4-imidazol-1-ylpiperidin-1-yl)quinazoline?
The IUPAC name of 4-(4-imidazol-1-ylpiperidin-1-yl)quinazoline (CID 133279857) is 4-(4-imidazol-1-ylpiperidin-1-yl)quinazoline.
What is the SMILES notation for 4-(4-imidazol-1-ylpiperidin-1-yl)quinazoline?
The canonical SMILES for 4-(4-imidazol-1-ylpiperidin-1-yl)quinazoline is c1ccc2c(N3CCC(n4ccnc4)CC3)ncnc2c1.
What is the InChIKey of 4-(4-imidazol-1-ylpiperidin-1-yl)quinazoline?
The InChIKey is XNCAUEKCPMJZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-2-4-15-14(3-1)16(19-11-18-15)20-8-5-13(6-9-20)21-10-7-17-12-21/h1-4,7,10-13H,5-6,8-9H2.
What are the key properties of 4-(4-imidazol-1-ylpiperidin-1-yl)quinazoline?
4-(4-imidazol-1-ylpiperidin-1-yl)quinazoline has a molecular weight of 279.35 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-imidazol-1-ylpiperidin-1-yl)quinazoline is sourced from PubChem (CID 133279857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).