N-cyclopropyl-2-[3-[4-(cyclopropylamino)-7-methylquinazolin-6-yl]phenyl]ethanesulfonamide

C23H26N4O2S — CID 68944161

IUPACN-cyclopropyl-2-[3-[4-(cyclopropylamino)-7-methylquinazolin-6-yl]phenyl]ethanesulfonamide
SMILESCc1cc2ncnc(NC3CC3)c2cc1-c1cccc(CCS(=O)(=O)NC2CC2)c1
InChIInChI=1S/C23H26N4O2S/c1-15-11-22-21(23(25-14-24-22)26-18-5-6-18)13-20(15)17-4-2-3-16(12-17)9-10-30(28,29)27-19-7-8-19/h2-4,11-14,18-19,27H,5-10H2,1H3,(H,24,25,26)
InChIKeyBLMYBIXEXUFGGS-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.80
Rot. Bonds8

About N-cyclopropyl-2-[3-[4-(cyclopropylamino)-7-methylquinazolin-6-yl]phenyl]ethanesulfonamide

N-cyclopropyl-2-[3-[4-(cyclopropylamino)-7-methylquinazolin-6-yl]phenyl]ethanesulfonamide (PubChem CID 68944161) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-[4-(cyclopropylamino)-7-methylquinazolin-6-yl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-[4-(cyclopropylamino)-7-methylquinazolin-6-yl]phenyl]ethanesulfonamide
PubChem CID68944161
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC NameN-cyclopropyl-2-[3-[4-(cyclopropylamino)-7-methylquinazolin-6-yl]phenyl]ethanesulfonamide
SMILESCc1cc2ncnc(NC3CC3)c2cc1-c1cccc(CCS(=O)(=O)NC2CC2)c1
InChIInChI=1S/C23H26N4O2S/c1-15-11-22-21(23(25-14-24-22)26-18-5-6-18)13-20(15)17-4-2-3-16(12-17)9-10-30(28,29)27-19-7-8-19/h2-4,11-14,18-19,27H,5-10H2,1H3,(H,24,25,26)
InChIKeyBLMYBIXEXUFGGS-UHFFFAOYSA-N
XLogP3.80
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-[4-(cyclopropylamino)-7-methylquinazolin-6-yl]phenyl]ethanesulfonamide?
The IUPAC name of N-cyclopropyl-2-[3-[4-(cyclopropylamino)-7-methylquinazolin-6-yl]phenyl]ethanesulfonamide (CID 68944161) is N-cyclopropyl-2-[3-[4-(cyclopropylamino)-7-methylquinazolin-6-yl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-cyclopropyl-2-[3-[4-(cyclopropylamino)-7-methylquinazolin-6-yl]phenyl]ethanesulfonamide?
The canonical SMILES for N-cyclopropyl-2-[3-[4-(cyclopropylamino)-7-methylquinazolin-6-yl]phenyl]ethanesulfonamide is Cc1cc2ncnc(NC3CC3)c2cc1-c1cccc(CCS(=O)(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-2-[3-[4-(cyclopropylamino)-7-methylquinazolin-6-yl]phenyl]ethanesulfonamide?
The InChIKey is BLMYBIXEXUFGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-15-11-22-21(23(25-14-24-22)26-18-5-6-18)13-20(15)17-4-2-3-16(12-17)9-10-30(28,29)27-19-7-8-19/h2-4,11-14,18-19,27H,5-10H2,1H3,(H,24,25,26).
What are the key properties of N-cyclopropyl-2-[3-[4-(cyclopropylamino)-7-methylquinazolin-6-yl]phenyl]ethanesulfonamide?
N-cyclopropyl-2-[3-[4-(cyclopropylamino)-7-methylquinazolin-6-yl]phenyl]ethanesulfonamide has a molecular weight of 422.55 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-[4-(cyclopropylamino)-7-methylquinazolin-6-yl]phenyl]ethanesulfonamide is sourced from PubChem (CID 68944161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).