2-N,4-N-dibenzyl-6-chloroquinazoline-2,4-diamine

C22H19ClN4 — CID 46224520

IUPAC2-N,4-N-dibenzyl-6-chloroquinazoline-2,4-diamine
SMILESClc1ccc2nc(NCc3ccccc3)nc(NCc3ccccc3)c2c1
InChIInChI=1S/C22H19ClN4/c23-18-11-12-20-19(13-18)21(24-14-16-7-3-1-4-8-16)27-22(26-20)25-15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H2,24,25,26,27)
InChIKeyNNVIZJKEOAVPGO-UHFFFAOYSA-N
MW374.88 g/mol
LogP5.51
Rot. Bonds6

About 2-N,4-N-dibenzyl-6-chloroquinazoline-2,4-diamine

2-N,4-N-dibenzyl-6-chloroquinazoline-2,4-diamine (PubChem CID 46224520) has the molecular formula C22H19ClN4 and a molecular weight of 374.88 g/mol. Its IUPAC name is 2-N,4-N-dibenzyl-6-chloroquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dibenzyl-6-chloroquinazoline-2,4-diamine
PubChem CID46224520
Molecular FormulaC22H19ClN4
Molecular Weight374.88 g/mol
Exact Mass374.13
IUPAC Name2-N,4-N-dibenzyl-6-chloroquinazoline-2,4-diamine
SMILESClc1ccc2nc(NCc3ccccc3)nc(NCc3ccccc3)c2c1
InChIInChI=1S/C22H19ClN4/c23-18-11-12-20-19(13-18)21(24-14-16-7-3-1-4-8-16)27-22(26-20)25-15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H2,24,25,26,27)
InChIKeyNNVIZJKEOAVPGO-UHFFFAOYSA-N
XLogP5.51
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.88
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dibenzyl-6-chloroquinazoline-2,4-diamine?
The IUPAC name of 2-N,4-N-dibenzyl-6-chloroquinazoline-2,4-diamine (CID 46224520) is 2-N,4-N-dibenzyl-6-chloroquinazoline-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dibenzyl-6-chloroquinazoline-2,4-diamine?
The canonical SMILES for 2-N,4-N-dibenzyl-6-chloroquinazoline-2,4-diamine is Clc1ccc2nc(NCc3ccccc3)nc(NCc3ccccc3)c2c1.
What is the InChIKey of 2-N,4-N-dibenzyl-6-chloroquinazoline-2,4-diamine?
The InChIKey is NNVIZJKEOAVPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4/c23-18-11-12-20-19(13-18)21(24-14-16-7-3-1-4-8-16)27-22(26-20)25-15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H2,24,25,26,27).
What are the key properties of 2-N,4-N-dibenzyl-6-chloroquinazoline-2,4-diamine?
2-N,4-N-dibenzyl-6-chloroquinazoline-2,4-diamine has a molecular weight of 374.88 g/mol, XLogP of 5.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dibenzyl-6-chloroquinazoline-2,4-diamine is sourced from PubChem (CID 46224520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).