N-[3-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]phenyl]methanesulfonamide

C21H25N5O3S — CID 3235161

IUPACN-[3-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccc3ncnc(NCCN4CCOCC4)c3c2)c1
InChIInChI=1S/C21H25N5O3S/c1-30(27,28)25-18-4-2-3-16(13-18)17-5-6-20-19(14-17)21(24-15-23-20)22-7-8-26-9-11-29-12-10-26/h2-6,13-15,25H,7-12H2,1H3,(H,22,23,24)
InChIKeyPBFFHGRTFIRIGK-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.41
Rot. Bonds7

About N-[3-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]phenyl]methanesulfonamide

N-[3-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]phenyl]methanesulfonamide (PubChem CID 3235161) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[3-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]phenyl]methanesulfonamide
PubChem CID3235161
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC NameN-[3-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccc3ncnc(NCCN4CCOCC4)c3c2)c1
InChIInChI=1S/C21H25N5O3S/c1-30(27,28)25-18-4-2-3-16(13-18)17-5-6-20-19(14-17)21(24-15-23-20)22-7-8-26-9-11-29-12-10-26/h2-6,13-15,25H,7-12H2,1H3,(H,22,23,24)
InChIKeyPBFFHGRTFIRIGK-UHFFFAOYSA-N
XLogP2.41
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-{[(2-Methoxyethyl)amino]methyl}phenyl)-6-(Pyridin-4-Yl)quinazolin-2-Amine
CID 70702306
4-amino-6-[[(1S)-1-[6-fluoro-4-(2-methoxyethylamino)-3-phenylquinolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 49872835
N-[4-[8-ethyl-2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]quinazolin-6-yl]-2-fluorophenyl]-1-phenylmethanesulfonamide
CID 155391406
N-[2,6-difluoro-4-[2-[[(3S)-piperidin-3-yl]amino]quinazolin-6-yl]phenyl]-1-phenylmethanesulfonamide
CID 155391672
N-[2,6-difluoro-4-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]quinazolin-6-yl]phenyl]-1-phenylmethanesulfonamide
CID 155391693
N-[2,3-difluoro-4-[2-[[(3S)-piperidin-3-yl]amino]quinazolin-6-yl]phenyl]-1-phenylmethanesulfonamide
CID 155391700
N-[4-[8-ethyl-2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]quinazolin-6-yl]-3-fluorophenyl]-1-phenylmethanesulfonamide
CID 155391735
2-[4-(methylsulfonyl)-1-piperazinyl]-N-(1-phenylethyl)-4-quinazolinamine
CID 2954542
N-(2-(4-Morpholinyl)ethyl)-2-phenyl-4-quinazolinamine
CID 675240
Pyrido[4,3-d]pyrimidine deriv. 4r
CID 5328328
2-N-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine
CID 137332125
N-[(5P)-2-chloro-5-(4-{[(1R)-1-phenylethyl]amino}quinazolin-6-yl)pyridin-3-yl]methanesulfonamide
CID 164809124

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]phenyl]methanesulfonamide (CID 3235161) is N-[3-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2ccc3ncnc(NCCN4CCOCC4)c3c2)c1.
What is the InChIKey of N-[3-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]phenyl]methanesulfonamide?
The InChIKey is PBFFHGRTFIRIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-30(27,28)25-18-4-2-3-16(13-18)17-5-6-20-19(14-17)21(24-15-23-20)22-7-8-26-9-11-29-12-10-26/h2-6,13-15,25H,7-12H2,1H3,(H,22,23,24).
What are the key properties of N-[3-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]phenyl]methanesulfonamide?
N-[3-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]phenyl]methanesulfonamide has a molecular weight of 427.53 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 3235161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).