6-chloro-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-phenylquinazolin-2-amine

C23H26ClN7O — CID 663484

IUPAC6-chloro-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-phenylquinazolin-2-amine
SMILESClc1ccc2nc(NC3=NCN(CCN4CCOCC4)CN3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C23H26ClN7O/c24-18-6-7-20-19(14-18)21(17-4-2-1-3-5-17)28-23(27-20)29-22-25-15-31(16-26-22)9-8-30-10-12-32-13-11-30/h1-7,14H,8-13,15-16H2,(H2,25,26,27,28,29)
InChIKeyASOLKTASORJPFO-UHFFFAOYSA-N
MW451.96 g/mol
LogP2.87
Rot. Bonds5

About 6-chloro-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-phenylquinazolin-2-amine

6-chloro-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-phenylquinazolin-2-amine (PubChem CID 663484) has the molecular formula C23H26ClN7O and a molecular weight of 451.96 g/mol. Its IUPAC name is 6-chloro-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-phenylquinazolin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-phenylquinazolin-2-amine
PubChem CID663484
Molecular FormulaC23H26ClN7O
Molecular Weight451.96 g/mol
Exact Mass451.19
IUPAC Name6-chloro-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-phenylquinazolin-2-amine
SMILESClc1ccc2nc(NC3=NCN(CCN4CCOCC4)CN3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C23H26ClN7O/c24-18-6-7-20-19(14-18)21(17-4-2-1-3-5-17)28-23(27-20)29-22-25-15-31(16-26-22)9-8-30-10-12-32-13-11-30/h1-7,14H,8-13,15-16H2,(H2,25,26,27,28,29)
InChIKeyASOLKTASORJPFO-UHFFFAOYSA-N
XLogP2.87
TPSA77.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.96
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-phenylquinazolin-2-amine?
The IUPAC name of 6-chloro-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-phenylquinazolin-2-amine (CID 663484) is 6-chloro-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-phenylquinazolin-2-amine.
What is the SMILES notation for 6-chloro-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-phenylquinazolin-2-amine?
The canonical SMILES for 6-chloro-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-phenylquinazolin-2-amine is Clc1ccc2nc(NC3=NCN(CCN4CCOCC4)CN3)nc(-c3ccccc3)c2c1.
What is the InChIKey of 6-chloro-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-phenylquinazolin-2-amine?
The InChIKey is ASOLKTASORJPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN7O/c24-18-6-7-20-19(14-18)21(17-4-2-1-3-5-17)28-23(27-20)29-22-25-15-31(16-26-22)9-8-30-10-12-32-13-11-30/h1-7,14H,8-13,15-16H2,(H2,25,26,27,28,29).
What are the key properties of 6-chloro-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-phenylquinazolin-2-amine?
6-chloro-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-phenylquinazolin-2-amine has a molecular weight of 451.96 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-phenylquinazolin-2-amine is sourced from PubChem (CID 663484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).