2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-5-phenylquinazolin-4-amine

C24H21ClN4O3S — CID 51030551

IUPAC2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-5-phenylquinazolin-4-amine
SMILESO=S(=O)(c1cccc(Nc2nc(Cl)nc3cccc(-c4ccccc4)c23)c1)N1CCOCC1
InChIInChI=1S/C24H21ClN4O3S/c25-24-27-21-11-5-10-20(17-6-2-1-3-7-17)22(21)23(28-24)26-18-8-4-9-19(16-18)33(30,31)29-12-14-32-15-13-29/h1-11,16H,12-15H2,(H,26,27,28)
InChIKeySOGWIWNKUJOJIS-UHFFFAOYSA-N
MW480.98 g/mol
LogP4.71
Rot. Bonds5

About 2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-5-phenylquinazolin-4-amine

2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-5-phenylquinazolin-4-amine (PubChem CID 51030551) has the molecular formula C24H21ClN4O3S and a molecular weight of 480.98 g/mol. Its IUPAC name is 2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-5-phenylquinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-5-phenylquinazolin-4-amine
PubChem CID51030551
Molecular FormulaC24H21ClN4O3S
Molecular Weight480.98 g/mol
Exact Mass480.10
IUPAC Name2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-5-phenylquinazolin-4-amine
SMILESO=S(=O)(c1cccc(Nc2nc(Cl)nc3cccc(-c4ccccc4)c23)c1)N1CCOCC1
InChIInChI=1S/C24H21ClN4O3S/c25-24-27-21-11-5-10-20(17-6-2-1-3-7-17)22(21)23(28-24)26-18-8-4-9-19(16-18)33(30,31)29-12-14-32-15-13-29/h1-11,16H,12-15H2,(H,26,27,28)
InChIKeySOGWIWNKUJOJIS-UHFFFAOYSA-N
XLogP4.71
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.98
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Cgp71683A
CID 9849276
N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide;hydrochloride
CID 56668433
Naphthalene-1-sulfonic acid [6-(4-amino-quinazolin-2-ylamino)-hexyl]-amide
CID 9955360
N-[2-[3-(benzenesulfonamido)phenyl]-4-morpholin-4-ylquinazolin-6-yl]acetamide
CID 10141912
Naphthalene-1-sulfonic acid [8-(4-amino-quinazolin-2-ylamino)-octyl]-amide
CID 44271592
Naphthalene-1-sulfonic acid [7-(4-amino-quinazolin-2-ylamino)-heptyl]-amide
CID 44271637
N-(3-morpholin-4-ylsulfonylphenyl)-5-phenyl-2-pyrimidin-5-ylquinazolin-4-amine
CID 68204939
N-[3-[4-(2-methoxyethylamino)quinazolin-2-yl]phenyl]methanesulfonamide
CID 3232925
(4-Morpholin-4-yl-quinazolin-2-yl)-naphthalen-1-yl-amine
CID 9550015
2-N-[2-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)ethyl]quinazoline-2,4-diamine
CID 44271482
N-[[3-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide
CID 44271486
N-[[4-[2-[(4-aminoquinazolin-2-yl)amino]ethyl]cyclohexyl]methyl]naphthalene-1-sulfonamide
CID 44271531

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-5-phenylquinazolin-4-amine?
The IUPAC name of 2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-5-phenylquinazolin-4-amine (CID 51030551) is 2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-5-phenylquinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-5-phenylquinazolin-4-amine?
The canonical SMILES for 2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-5-phenylquinazolin-4-amine is O=S(=O)(c1cccc(Nc2nc(Cl)nc3cccc(-c4ccccc4)c23)c1)N1CCOCC1.
What is the InChIKey of 2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-5-phenylquinazolin-4-amine?
The InChIKey is SOGWIWNKUJOJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O3S/c25-24-27-21-11-5-10-20(17-6-2-1-3-7-17)22(21)23(28-24)26-18-8-4-9-19(16-18)33(30,31)29-12-14-32-15-13-29/h1-11,16H,12-15H2,(H,26,27,28).
What are the key properties of 2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-5-phenylquinazolin-4-amine?
2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-5-phenylquinazolin-4-amine has a molecular weight of 480.98 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-5-phenylquinazolin-4-amine is sourced from PubChem (CID 51030551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).