N-[(4-morpholin-4-ylquinazolin-2-yl)methyl]naphthalene-1-sulfonamide

C23H22N4O3S — CID 25131735

IUPACN-[(4-morpholin-4-ylquinazolin-2-yl)methyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(NCc1nc(N2CCOCC2)c2ccccc2n1)c1cccc2ccccc12
InChIInChI=1S/C23H22N4O3S/c28-31(29,21-11-5-7-17-6-1-2-8-18(17)21)24-16-22-25-20-10-4-3-9-19(20)23(26-22)27-12-14-30-15-13-27/h1-11,24H,12-16H2
InChIKeyDBIGCVHTCMXGDV-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.10
Rot. Bonds5

About N-[(4-morpholin-4-ylquinazolin-2-yl)methyl]naphthalene-1-sulfonamide

N-[(4-morpholin-4-ylquinazolin-2-yl)methyl]naphthalene-1-sulfonamide (PubChem CID 25131735) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylquinazolin-2-yl)methyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylquinazolin-2-yl)methyl]naphthalene-1-sulfonamide
PubChem CID25131735
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC NameN-[(4-morpholin-4-ylquinazolin-2-yl)methyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(NCc1nc(N2CCOCC2)c2ccccc2n1)c1cccc2ccccc12
InChIInChI=1S/C23H22N4O3S/c28-31(29,21-11-5-7-17-6-1-2-8-18(17)21)24-16-22-25-20-10-4-3-9-19(20)23(26-22)27-12-14-30-15-13-27/h1-11,24H,12-16H2
InChIKeyDBIGCVHTCMXGDV-UHFFFAOYSA-N
XLogP3.10
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylquinazolin-2-yl)methyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[(4-morpholin-4-ylquinazolin-2-yl)methyl]naphthalene-1-sulfonamide (CID 25131735) is N-[(4-morpholin-4-ylquinazolin-2-yl)methyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[(4-morpholin-4-ylquinazolin-2-yl)methyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[(4-morpholin-4-ylquinazolin-2-yl)methyl]naphthalene-1-sulfonamide is O=S(=O)(NCc1nc(N2CCOCC2)c2ccccc2n1)c1cccc2ccccc12.
What is the InChIKey of N-[(4-morpholin-4-ylquinazolin-2-yl)methyl]naphthalene-1-sulfonamide?
The InChIKey is DBIGCVHTCMXGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c28-31(29,21-11-5-7-17-6-1-2-8-18(17)21)24-16-22-25-20-10-4-3-9-19(20)23(26-22)27-12-14-30-15-13-27/h1-11,24H,12-16H2.
What are the key properties of N-[(4-morpholin-4-ylquinazolin-2-yl)methyl]naphthalene-1-sulfonamide?
N-[(4-morpholin-4-ylquinazolin-2-yl)methyl]naphthalene-1-sulfonamide has a molecular weight of 434.52 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylquinazolin-2-yl)methyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 25131735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).