ethane;8-methyl-5-piperidin-1-ylquinazoline

C22H41N3 — CID 158470649

IUPACethane;8-methyl-5-piperidin-1-ylquinazoline
SMILESCC.CC.CC.CC.Cc1ccc(N2CCCCC2)c2cncnc12
InChIInChI=1S/C14H17N3.4C2H6/c1-11-5-6-13(17-7-3-2-4-8-17)12-9-15-10-16-14(11)12;4*1-2/h5-6,9-10H,2-4,7-8H2,1H3;4*1-2H3
InChIKeyHGHOXENKEBCWRC-UHFFFAOYSA-N
MW347.59 g/mol
LogP7.03
Rot. Bonds1

About ethane;8-methyl-5-piperidin-1-ylquinazoline

ethane;8-methyl-5-piperidin-1-ylquinazoline (PubChem CID 158470649) has the molecular formula C22H41N3 and a molecular weight of 347.59 g/mol. Its IUPAC name is ethane;8-methyl-5-piperidin-1-ylquinazoline.

Molecular Properties

Compound Nameethane;8-methyl-5-piperidin-1-ylquinazoline
PubChem CID158470649
Molecular FormulaC22H41N3
Molecular Weight347.59 g/mol
Exact Mass347.33
IUPAC Nameethane;8-methyl-5-piperidin-1-ylquinazoline
SMILESCC.CC.CC.CC.Cc1ccc(N2CCCCC2)c2cncnc12
InChIInChI=1S/C14H17N3.4C2H6/c1-11-5-6-13(17-7-3-2-4-8-17)12-9-15-10-16-14(11)12;4*1-2/h5-6,9-10H,2-4,7-8H2,1H3;4*1-2H3
InChIKeyHGHOXENKEBCWRC-UHFFFAOYSA-N
XLogP7.03
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.59
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-8-piperidin-1-ylquinoxaline
CID 129257471
2,7-dimethyl-4-pyrrolidin-1-ylindazole
CID 167502193
8-pyrrolidin-1-ylquinazoline
CID 66725106
40,41-dimethyl-1,20-diazatricyclo[18.18.4.239,42]tetratetraconta-39,41,43-triene
CID 177473830
8-methoxy-5-piperidin-1-ylquinoline
CID 86218648
1-(2,3-difluoro-4-methylphenyl)pyrrolidine
CID 168515209
N-cycloheptyl-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165628
1-(5-chloropyrimidin-4-yl)azepane;hydrochloride
CID 172880685
5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinazoline-8-carbonitrile
CID 129240771
2-methyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide
CID 53189946
4-(azepan-1-yl)-6-methylquinoline
CID 133466822
4,6-dimethyl-2-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 139023232

Frequently Asked Questions

What is the IUPAC name of ethane;8-methyl-5-piperidin-1-ylquinazoline?
The IUPAC name of ethane;8-methyl-5-piperidin-1-ylquinazoline (CID 158470649) is ethane;8-methyl-5-piperidin-1-ylquinazoline.
What is the SMILES notation for ethane;8-methyl-5-piperidin-1-ylquinazoline?
The canonical SMILES for ethane;8-methyl-5-piperidin-1-ylquinazoline is CC.CC.CC.CC.Cc1ccc(N2CCCCC2)c2cncnc12.
What is the InChIKey of ethane;8-methyl-5-piperidin-1-ylquinazoline?
The InChIKey is HGHOXENKEBCWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3.4C2H6/c1-11-5-6-13(17-7-3-2-4-8-17)12-9-15-10-16-14(11)12;4*1-2/h5-6,9-10H,2-4,7-8H2,1H3;4*1-2H3.
What are the key properties of ethane;8-methyl-5-piperidin-1-ylquinazoline?
ethane;8-methyl-5-piperidin-1-ylquinazoline has a molecular weight of 347.59 g/mol, XLogP of 7.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-methyl-5-piperidin-1-ylquinazoline is sourced from PubChem (CID 158470649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).