N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide;hydrochloride

C26H30ClN5O2S — CID 56668433

IUPACN-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide;hydrochloride
SMILESCl.Nc1nc(NCC2CCC(CNS(=O)(=O)c3ccc4ccccc4c3)CC2)nc2ccccc12
InChIInChI=1S/C26H29N5O2S.ClH/c27-25-23-7-3-4-8-24(23)30-26(31-25)28-16-18-9-11-19(12-10-18)17-29-34(32,33)22-14-13-20-5-1-2-6-21(20)15-22;/h1-8,13-15,18-19,29H,9-12,16-17H2,(H3,27,28,30,31);1H
InChIKeyZWGWSFHAZWNQQE-UHFFFAOYSA-N
MW512.08 g/mol
LogP4.98
Rot. Bonds7

About N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide;hydrochloride

N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide;hydrochloride (PubChem CID 56668433) has the molecular formula C26H30ClN5O2S and a molecular weight of 512.08 g/mol. Its IUPAC name is N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide;hydrochloride
PubChem CID56668433
Molecular FormulaC26H30ClN5O2S
Molecular Weight512.08 g/mol
Exact Mass511.18
IUPAC NameN-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide;hydrochloride
SMILESCl.Nc1nc(NCC2CCC(CNS(=O)(=O)c3ccc4ccccc4c3)CC2)nc2ccccc12
InChIInChI=1S/C26H29N5O2S.ClH/c27-25-23-7-3-4-8-24(23)30-26(31-25)28-16-18-9-11-19(12-10-18)17-29-34(32,33)22-14-13-20-5-1-2-6-21(20)15-22;/h1-8,13-15,18-19,29H,9-12,16-17H2,(H3,27,28,30,31);1H
InChIKeyZWGWSFHAZWNQQE-UHFFFAOYSA-N
XLogP4.98
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.08
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide;hydrochloride?
The IUPAC name of N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide;hydrochloride (CID 56668433) is N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide;hydrochloride is Cl.Nc1nc(NCC2CCC(CNS(=O)(=O)c3ccc4ccccc4c3)CC2)nc2ccccc12.
What is the InChIKey of N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide;hydrochloride?
The InChIKey is ZWGWSFHAZWNQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2S.ClH/c27-25-23-7-3-4-8-24(23)30-26(31-25)28-16-18-9-11-19(12-10-18)17-29-34(32,33)22-14-13-20-5-1-2-6-21(20)15-22;/h1-8,13-15,18-19,29H,9-12,16-17H2,(H3,27,28,30,31);1H.
What are the key properties of N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide;hydrochloride?
N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide;hydrochloride has a molecular weight of 512.08 g/mol, XLogP of 4.98, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 56668433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).