N-[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methanesulfonamide

C19H20N4O3S — CID 3235573

IUPACN-[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccc3ncnc(N4CCOCC4)c3c2)c1
InChIInChI=1S/C19H20N4O3S/c1-27(24,25)22-16-4-2-3-14(11-16)15-5-6-18-17(12-15)19(21-13-20-18)23-7-9-26-10-8-23/h2-6,11-13,22H,7-10H2,1H3
InChIKeyZNMVYWBQTWPDEZ-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.50
Rot. Bonds4

About N-[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methanesulfonamide

N-[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methanesulfonamide (PubChem CID 3235573) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methanesulfonamide
PubChem CID3235573
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccc3ncnc(N4CCOCC4)c3c2)c1
InChIInChI=1S/C19H20N4O3S/c1-27(24,25)22-16-4-2-3-14(11-16)15-5-6-18-17(12-15)19(21-13-20-18)23-7-9-26-10-8-23/h2-6,11-13,22H,7-10H2,1H3
InChIKeyZNMVYWBQTWPDEZ-UHFFFAOYSA-N
XLogP2.50
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methanesulfonamide (CID 3235573) is N-[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2ccc3ncnc(N4CCOCC4)c3c2)c1.
What is the InChIKey of N-[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methanesulfonamide?
The InChIKey is ZNMVYWBQTWPDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-27(24,25)22-16-4-2-3-14(11-16)15-5-6-18-17(12-15)19(21-13-20-18)23-7-9-26-10-8-23/h2-6,11-13,22H,7-10H2,1H3.
What are the key properties of N-[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methanesulfonamide?
N-[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methanesulfonamide has a molecular weight of 384.46 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 3235573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).