N,N-diethyl-4-quinazolin-2-ylaniline

C18H19N3 — CID 22356712

IUPACN,N-diethyl-4-quinazolin-2-ylaniline
SMILESCCN(CC)c1ccc(-c2ncc3ccccc3n2)cc1
InChIInChI=1S/C18H19N3/c1-3-21(4-2)16-11-9-14(10-12-16)18-19-13-15-7-5-6-8-17(15)20-18/h5-13H,3-4H2,1-2H3
InChIKeyKPXRNDPXNMTCHH-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.14
Rot. Bonds4

About N,N-diethyl-4-quinazolin-2-ylaniline

N,N-diethyl-4-quinazolin-2-ylaniline (PubChem CID 22356712) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N,N-diethyl-4-quinazolin-2-ylaniline.

Molecular Properties

Compound NameN,N-diethyl-4-quinazolin-2-ylaniline
PubChem CID22356712
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN,N-diethyl-4-quinazolin-2-ylaniline
SMILESCCN(CC)c1ccc(-c2ncc3ccccc3n2)cc1
InChIInChI=1S/C18H19N3/c1-3-21(4-2)16-11-9-14(10-12-16)18-19-13-15-7-5-6-8-17(15)20-18/h5-13H,3-4H2,1-2H3
InChIKeyKPXRNDPXNMTCHH-UHFFFAOYSA-N
XLogP4.14
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-quinazolin-2-ylaniline?
The IUPAC name of N,N-diethyl-4-quinazolin-2-ylaniline (CID 22356712) is N,N-diethyl-4-quinazolin-2-ylaniline.
What is the SMILES notation for N,N-diethyl-4-quinazolin-2-ylaniline?
The canonical SMILES for N,N-diethyl-4-quinazolin-2-ylaniline is CCN(CC)c1ccc(-c2ncc3ccccc3n2)cc1.
What is the InChIKey of N,N-diethyl-4-quinazolin-2-ylaniline?
The InChIKey is KPXRNDPXNMTCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-3-21(4-2)16-11-9-14(10-12-16)18-19-13-15-7-5-6-8-17(15)20-18/h5-13H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-quinazolin-2-ylaniline?
N,N-diethyl-4-quinazolin-2-ylaniline has a molecular weight of 277.37 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-quinazolin-2-ylaniline is sourced from PubChem (CID 22356712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).