N,N-diethyl-2-(4-methoxyphenyl)quinazolin-4-amine

C19H21N3O — CID 20963147

IUPACN,N-diethyl-2-(4-methoxyphenyl)quinazolin-4-amine
SMILESCCN(CC)c1nc(-c2ccc(OC)cc2)nc2ccccc12
InChIInChI=1S/C19H21N3O/c1-4-22(5-2)19-16-8-6-7-9-17(16)20-18(21-19)14-10-12-15(23-3)13-11-14/h6-13H,4-5H2,1-3H3
InChIKeyJYSOTKHGGWYJOO-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.15
Rot. Bonds5

About N,N-diethyl-2-(4-methoxyphenyl)quinazolin-4-amine

N,N-diethyl-2-(4-methoxyphenyl)quinazolin-4-amine (PubChem CID 20963147) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N,N-diethyl-2-(4-methoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-2-(4-methoxyphenyl)quinazolin-4-amine
PubChem CID20963147
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN,N-diethyl-2-(4-methoxyphenyl)quinazolin-4-amine
SMILESCCN(CC)c1nc(-c2ccc(OC)cc2)nc2ccccc12
InChIInChI=1S/C19H21N3O/c1-4-22(5-2)19-16-8-6-7-9-17(16)20-18(21-19)14-10-12-15(23-3)13-11-14/h6-13H,4-5H2,1-3H3
InChIKeyJYSOTKHGGWYJOO-UHFFFAOYSA-N
XLogP4.15
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-methoxyphenyl)quinazolin-4-amine?
The IUPAC name of N,N-diethyl-2-(4-methoxyphenyl)quinazolin-4-amine (CID 20963147) is N,N-diethyl-2-(4-methoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for N,N-diethyl-2-(4-methoxyphenyl)quinazolin-4-amine?
The canonical SMILES for N,N-diethyl-2-(4-methoxyphenyl)quinazolin-4-amine is CCN(CC)c1nc(-c2ccc(OC)cc2)nc2ccccc12.
What is the InChIKey of N,N-diethyl-2-(4-methoxyphenyl)quinazolin-4-amine?
The InChIKey is JYSOTKHGGWYJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-4-22(5-2)19-16-8-6-7-9-17(16)20-18(21-19)14-10-12-15(23-3)13-11-14/h6-13H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-2-(4-methoxyphenyl)quinazolin-4-amine?
N,N-diethyl-2-(4-methoxyphenyl)quinazolin-4-amine has a molecular weight of 307.40 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-methoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 20963147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).