5-[7-(3-methylsulfonylphenyl)-4-morpholin-4-ylquinazolin-2-yl]pyridin-2-amine

C24H23N5O3S — CID 67514428

IUPAC5-[7-(3-methylsulfonylphenyl)-4-morpholin-4-ylquinazolin-2-yl]pyridin-2-amine
SMILESCS(=O)(=O)c1cccc(-c2ccc3c(N4CCOCC4)nc(-c4ccc(N)nc4)nc3c2)c1
InChIInChI=1S/C24H23N5O3S/c1-33(30,31)19-4-2-3-16(13-19)17-5-7-20-21(14-17)27-23(18-6-8-22(25)26-15-18)28-24(20)29-9-11-32-12-10-29/h2-8,13-15H,9-12H2,1H3,(H2,25,26)
InChIKeyIALDNULAAGQZCT-UHFFFAOYSA-N
MW461.55 g/mol
LogP3.18
Rot. Bonds4

About 5-[7-(3-methylsulfonylphenyl)-4-morpholin-4-ylquinazolin-2-yl]pyridin-2-amine

5-[7-(3-methylsulfonylphenyl)-4-morpholin-4-ylquinazolin-2-yl]pyridin-2-amine (PubChem CID 67514428) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is 5-[7-(3-methylsulfonylphenyl)-4-morpholin-4-ylquinazolin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[7-(3-methylsulfonylphenyl)-4-morpholin-4-ylquinazolin-2-yl]pyridin-2-amine
PubChem CID67514428
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC Name5-[7-(3-methylsulfonylphenyl)-4-morpholin-4-ylquinazolin-2-yl]pyridin-2-amine
SMILESCS(=O)(=O)c1cccc(-c2ccc3c(N4CCOCC4)nc(-c4ccc(N)nc4)nc3c2)c1
InChIInChI=1S/C24H23N5O3S/c1-33(30,31)19-4-2-3-16(13-19)17-5-7-20-21(14-17)27-23(18-6-8-22(25)26-15-18)28-24(20)29-9-11-32-12-10-29/h2-8,13-15H,9-12H2,1H3,(H2,25,26)
InChIKeyIALDNULAAGQZCT-UHFFFAOYSA-N
XLogP3.18
TPSA111.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2,3-dimethyl-4-[[5-[7-(3-methylsulfonylphenyl)-4-morpholin-4-ylquinazolin-2-yl]-2-pyridinyl]carbamoylamino]benzamide
CID 67514313
N-methyl-5-[6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyridin-2-amine
CID 59829270
(2S)-1-[3-[2-(6-amino-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]sulfonylpropan-2-ol
CID 59829562
N-methyl-5-[6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 59829279
N-methyl-5-[7-methyl-6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine
CID 59829337
N-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]phenyl]-2-fluoropropanamide
CID 73053951
5-[7-[3-(cyclopropylsulfonylmethyl)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 161224030
1-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]phenyl]-3,3-dimethylbutan-2-one
CID 161430959
N-[4-[[4-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 67516188
5-[6-[(3-methyl-2-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine
CID 66934070
N,N-dimethyl-3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide
CID 67035240
3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]benzoic acid
CID 25109374

Frequently Asked Questions

What is the IUPAC name of 5-[7-(3-methylsulfonylphenyl)-4-morpholin-4-ylquinazolin-2-yl]pyridin-2-amine?
The IUPAC name of 5-[7-(3-methylsulfonylphenyl)-4-morpholin-4-ylquinazolin-2-yl]pyridin-2-amine (CID 67514428) is 5-[7-(3-methylsulfonylphenyl)-4-morpholin-4-ylquinazolin-2-yl]pyridin-2-amine.
What is the SMILES notation for 5-[7-(3-methylsulfonylphenyl)-4-morpholin-4-ylquinazolin-2-yl]pyridin-2-amine?
The canonical SMILES for 5-[7-(3-methylsulfonylphenyl)-4-morpholin-4-ylquinazolin-2-yl]pyridin-2-amine is CS(=O)(=O)c1cccc(-c2ccc3c(N4CCOCC4)nc(-c4ccc(N)nc4)nc3c2)c1.
What is the InChIKey of 5-[7-(3-methylsulfonylphenyl)-4-morpholin-4-ylquinazolin-2-yl]pyridin-2-amine?
The InChIKey is IALDNULAAGQZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c1-33(30,31)19-4-2-3-16(13-19)17-5-7-20-21(14-17)27-23(18-6-8-22(25)26-15-18)28-24(20)29-9-11-32-12-10-29/h2-8,13-15H,9-12H2,1H3,(H2,25,26).
What are the key properties of 5-[7-(3-methylsulfonylphenyl)-4-morpholin-4-ylquinazolin-2-yl]pyridin-2-amine?
5-[7-(3-methylsulfonylphenyl)-4-morpholin-4-ylquinazolin-2-yl]pyridin-2-amine has a molecular weight of 461.55 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(3-methylsulfonylphenyl)-4-morpholin-4-ylquinazolin-2-yl]pyridin-2-amine is sourced from PubChem (CID 67514428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).