N,N-dimethyl-3-(4-phenyl-1H-quinazolin-4-yl)propan-1-amine

C19H23N3 — CID 165353593

IUPACN,N-dimethyl-3-(4-phenyl-1H-quinazolin-4-yl)propan-1-amine
SMILESCN(C)CCCC1(c2ccccc2)N=CNc2ccccc21
InChIInChI=1S/C19H23N3/c1-22(2)14-8-13-19(16-9-4-3-5-10-16)17-11-6-7-12-18(17)20-15-21-19/h3-7,9-12,15H,8,13-14H2,1-2H3,(H,20,21)
InChIKeyPGUDMBNIYYTERP-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.73
Rot. Bonds5

About N,N-dimethyl-3-(4-phenyl-1H-quinazolin-4-yl)propan-1-amine

N,N-dimethyl-3-(4-phenyl-1H-quinazolin-4-yl)propan-1-amine (PubChem CID 165353593) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N,N-dimethyl-3-(4-phenyl-1H-quinazolin-4-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(4-phenyl-1H-quinazolin-4-yl)propan-1-amine
PubChem CID165353593
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC NameN,N-dimethyl-3-(4-phenyl-1H-quinazolin-4-yl)propan-1-amine
SMILESCN(C)CCCC1(c2ccccc2)N=CNc2ccccc21
InChIInChI=1S/C19H23N3/c1-22(2)14-8-13-19(16-9-4-3-5-10-16)17-11-6-7-12-18(17)20-15-21-19/h3-7,9-12,15H,8,13-14H2,1-2H3,(H,20,21)
InChIKeyPGUDMBNIYYTERP-UHFFFAOYSA-N
XLogP3.73
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(4-phenyl-1H-quinazolin-4-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(4-phenyl-1H-quinazolin-4-yl)propan-1-amine (CID 165353593) is N,N-dimethyl-3-(4-phenyl-1H-quinazolin-4-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(4-phenyl-1H-quinazolin-4-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(4-phenyl-1H-quinazolin-4-yl)propan-1-amine is CN(C)CCCC1(c2ccccc2)N=CNc2ccccc21.
What is the InChIKey of N,N-dimethyl-3-(4-phenyl-1H-quinazolin-4-yl)propan-1-amine?
The InChIKey is PGUDMBNIYYTERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-22(2)14-8-13-19(16-9-4-3-5-10-16)17-11-6-7-12-18(17)20-15-21-19/h3-7,9-12,15H,8,13-14H2,1-2H3,(H,20,21).
What are the key properties of N,N-dimethyl-3-(4-phenyl-1H-quinazolin-4-yl)propan-1-amine?
N,N-dimethyl-3-(4-phenyl-1H-quinazolin-4-yl)propan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(4-phenyl-1H-quinazolin-4-yl)propan-1-amine is sourced from PubChem (CID 165353593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).