N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-1-phenylmethanesulfonamide;hydrochloride

C23H30ClN5O2S — CID 67720129

IUPACN-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-1-phenylmethanesulfonamide;hydrochloride
SMILESCl.Nc1nc(NCC2CCC(CNS(=O)(=O)Cc3ccccc3)CC2)nc2ccccc12
InChIInChI=1S/C23H29N5O2S.ClH/c24-22-20-8-4-5-9-21(20)27-23(28-22)25-14-17-10-12-18(13-11-17)15-26-31(29,30)16-19-6-2-1-3-7-19;/h1-9,17-18,26H,10-16H2,(H3,24,25,27,28);1H
InChIKeySRHRVZGZKAYJOC-UHFFFAOYSA-N
MW476.05 g/mol
LogP3.97
Rot. Bonds8

About N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-1-phenylmethanesulfonamide;hydrochloride

N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-1-phenylmethanesulfonamide;hydrochloride (PubChem CID 67720129) has the molecular formula C23H30ClN5O2S and a molecular weight of 476.05 g/mol. Its IUPAC name is N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-1-phenylmethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-1-phenylmethanesulfonamide;hydrochloride
PubChem CID67720129
Molecular FormulaC23H30ClN5O2S
Molecular Weight476.05 g/mol
Exact Mass475.18
IUPAC NameN-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-1-phenylmethanesulfonamide;hydrochloride
SMILESCl.Nc1nc(NCC2CCC(CNS(=O)(=O)Cc3ccccc3)CC2)nc2ccccc12
InChIInChI=1S/C23H29N5O2S.ClH/c24-22-20-8-4-5-9-21(20)27-23(28-22)25-14-17-10-12-18(13-11-17)15-26-31(29,30)16-19-6-2-1-3-7-19;/h1-9,17-18,26H,10-16H2,(H3,24,25,27,28);1H
InChIKeySRHRVZGZKAYJOC-UHFFFAOYSA-N
XLogP3.97
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.05
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-1-phenylmethanesulfonamide;hydrochloride with MolForge

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Related Compounds

N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-1-phenylmethanesulfonamide
CID 54336348
[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl-naphthalen-1-ylsulfamic acid;hydrochloride
CID 141246475
N-[[5-[[(4-aminoquinazolin-2-yl)amino]methyl]-1-benzylpiperidin-2-yl]methyl]benzenesulfonamide
CID 70183084
N-[[4-[[(4-amino-5-methoxyquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide
CID 54213933
2-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]quinazoline-2,4-diamine
CID 133486693
2-N-[(1-butylsulfonylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine
CID 126798090
N-[[4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide
CID 139925321
4-[(benzylsulfonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525485
N-[[4-[[(4-aminoquinazolin-2-yl)methylamino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide
CID 139925377
N-[[4-[[[4-[(1-benzylpiperidin-4-yl)amino]quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]benzenesulfonamide;methane
CID 160606134
N-[[4-[[(4-hydrazinylquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide;methane
CID 159875689
2-N-[4-(aminomethyl)cyclohexyl]quinazoline-2,4-diamine
CID 67720732

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-1-phenylmethanesulfonamide;hydrochloride?
The IUPAC name of N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-1-phenylmethanesulfonamide;hydrochloride (CID 67720129) is N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-1-phenylmethanesulfonamide;hydrochloride.
What is the SMILES notation for N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-1-phenylmethanesulfonamide;hydrochloride?
The canonical SMILES for N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-1-phenylmethanesulfonamide;hydrochloride is Cl.Nc1nc(NCC2CCC(CNS(=O)(=O)Cc3ccccc3)CC2)nc2ccccc12.
What is the InChIKey of N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-1-phenylmethanesulfonamide;hydrochloride?
The InChIKey is SRHRVZGZKAYJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2S.ClH/c24-22-20-8-4-5-9-21(20)27-23(28-22)25-14-17-10-12-18(13-11-17)15-26-31(29,30)16-19-6-2-1-3-7-19;/h1-9,17-18,26H,10-16H2,(H3,24,25,27,28);1H.
What are the key properties of N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-1-phenylmethanesulfonamide;hydrochloride?
N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-1-phenylmethanesulfonamide;hydrochloride has a molecular weight of 476.05 g/mol, XLogP of 3.97, 8 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]-1-phenylmethanesulfonamide;hydrochloride is sourced from PubChem (CID 67720129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).