N-[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methanesulfonamide

C18H18N4O2S — CID 3233880

IUPACN-[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccc3ncnc(NC4CC4)c3c2)c1
InChIInChI=1S/C18H18N4O2S/c1-25(23,24)22-15-4-2-3-12(9-15)13-5-8-17-16(10-13)18(20-11-19-17)21-14-6-7-14/h2-5,8-11,14,22H,6-7H2,1H3,(H,19,20,21)
InChIKeyQVPKGYDQHRFNDU-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.24
Rot. Bonds5

About N-[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methanesulfonamide

N-[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methanesulfonamide (PubChem CID 3233880) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methanesulfonamide
PubChem CID3233880
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccc3ncnc(NC4CC4)c3c2)c1
InChIInChI=1S/C18H18N4O2S/c1-25(23,24)22-15-4-2-3-12(9-15)13-5-8-17-16(10-13)18(20-11-19-17)21-14-6-7-14/h2-5,8-11,14,22H,6-7H2,1H3,(H,19,20,21)
InChIKeyQVPKGYDQHRFNDU-UHFFFAOYSA-N
XLogP3.24
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methanesulfonamide (CID 3233880) is N-[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2ccc3ncnc(NC4CC4)c3c2)c1.
What is the InChIKey of N-[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methanesulfonamide?
The InChIKey is QVPKGYDQHRFNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-25(23,24)22-15-4-2-3-12(9-15)13-5-8-17-16(10-13)18(20-11-19-17)21-14-6-7-14/h2-5,8-11,14,22H,6-7H2,1H3,(H,19,20,21).
What are the key properties of N-[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methanesulfonamide?
N-[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methanesulfonamide has a molecular weight of 354.44 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 3233880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).