2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline

C22H27N3 — CID 54758181

IUPAC2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline
SMILESCC1=Nc2ccccc2C(c2ccccc2)N1CCN1CCCCC1
InChIInChI=1S/C22H27N3/c1-18-23-21-13-7-6-12-20(21)22(19-10-4-2-5-11-19)25(18)17-16-24-14-8-3-9-15-24/h2,4-7,10-13,22H,3,8-9,14-17H2,1H3
InChIKeySPBRHITZBQNEJB-UHFFFAOYSA-N
MW333.48 g/mol
LogP4.63
Rot. Bonds4

About 2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline

2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline (PubChem CID 54758181) has the molecular formula C22H27N3 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline.

Molecular Properties

Compound Name2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline
PubChem CID54758181
Molecular FormulaC22H27N3
Molecular Weight333.48 g/mol
Exact Mass333.22
IUPAC Name2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline
SMILESCC1=Nc2ccccc2C(c2ccccc2)N1CCN1CCCCC1
InChIInChI=1S/C22H27N3/c1-18-23-21-13-7-6-12-20(21)22(19-10-4-2-5-11-19)25(18)17-16-24-14-8-3-9-15-24/h2,4-7,10-13,22H,3,8-9,14-17H2,1H3
InChIKeySPBRHITZBQNEJB-UHFFFAOYSA-N
XLogP4.63
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Fluperlapine
CID 49381
Perlapine
CID 16106
Dazepinil Hydrochloride
CID 11954359
Dazepinil
CID 53432
7,8,9,10,11,12,13,14,15,16-decahydroazacyclotridecino[2,1-b]quinazolin-18(6H)-imine
CID 3609939
5-Phenyl-2,3-dihydroimidazo[1,2-c]quinazoline
CID 15620519
6,8,9,11-Tetrahydro-7H-pyrido[2,1-b]quinazoline
CID 6420076
6-phenyl-3,4-dihydro-2H-pyrimido[1,2-c]quinazoline
CID 403513
N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-2-phenylaniline
CID 11140033
N-[8-(6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-ylideneamino)octyl]-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine
CID 16082577
N-[7-(6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-ylideneamino)heptyl]-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine
CID 16082584
5-Methoxy-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydroimidazo[1,2-c]quinazoline
CID 44310396

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline?
The IUPAC name of 2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline (CID 54758181) is 2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline.
What is the SMILES notation for 2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline?
The canonical SMILES for 2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline is CC1=Nc2ccccc2C(c2ccccc2)N1CCN1CCCCC1.
What is the InChIKey of 2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline?
The InChIKey is SPBRHITZBQNEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3/c1-18-23-21-13-7-6-12-20(21)22(19-10-4-2-5-11-19)25(18)17-16-24-14-8-3-9-15-24/h2,4-7,10-13,22H,3,8-9,14-17H2,1H3.
What are the key properties of 2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline?
2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline has a molecular weight of 333.48 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline is sourced from PubChem (CID 54758181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).