[4-[[4-(N,2-dimethylanilino)quinazolin-2-yl]amino]cyclohexyl]carbamic acid

C23H27N5O2 — CID 69014011

IUPAC[4-[[4-(N,2-dimethylanilino)quinazolin-2-yl]amino]cyclohexyl]carbamic acid
SMILESCc1ccccc1N(C)c1nc(NC2CCC(NC(=O)O)CC2)nc2ccccc12
InChIInChI=1S/C23H27N5O2/c1-15-7-3-6-10-20(15)28(2)21-18-8-4-5-9-19(18)26-22(27-21)24-16-11-13-17(14-12-16)25-23(29)30/h3-10,16-17,25H,11-14H2,1-2H3,(H,29,30)(H,24,26,27)
InChIKeySCEUMJSAEJEYGG-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.70
Rot. Bonds5

About [4-[[4-(N,2-dimethylanilino)quinazolin-2-yl]amino]cyclohexyl]carbamic acid

[4-[[4-(N,2-dimethylanilino)quinazolin-2-yl]amino]cyclohexyl]carbamic acid (PubChem CID 69014011) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is [4-[[4-(N,2-dimethylanilino)quinazolin-2-yl]amino]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[[4-(N,2-dimethylanilino)quinazolin-2-yl]amino]cyclohexyl]carbamic acid
PubChem CID69014011
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name[4-[[4-(N,2-dimethylanilino)quinazolin-2-yl]amino]cyclohexyl]carbamic acid
SMILESCc1ccccc1N(C)c1nc(NC2CCC(NC(=O)O)CC2)nc2ccccc12
InChIInChI=1S/C23H27N5O2/c1-15-7-3-6-10-20(15)28(2)21-18-8-4-5-9-19(18)26-22(27-21)24-16-11-13-17(14-12-16)25-23(29)30/h3-10,16-17,25H,11-14H2,1-2H3,(H,29,30)(H,24,26,27)
InChIKeySCEUMJSAEJEYGG-UHFFFAOYSA-N
XLogP4.70
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-(N,2-dimethylanilino)quinazolin-2-yl]amino]cyclohexyl]carbamic acid?
The IUPAC name of [4-[[4-(N,2-dimethylanilino)quinazolin-2-yl]amino]cyclohexyl]carbamic acid (CID 69014011) is [4-[[4-(N,2-dimethylanilino)quinazolin-2-yl]amino]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[[4-(N,2-dimethylanilino)quinazolin-2-yl]amino]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[[4-(N,2-dimethylanilino)quinazolin-2-yl]amino]cyclohexyl]carbamic acid is Cc1ccccc1N(C)c1nc(NC2CCC(NC(=O)O)CC2)nc2ccccc12.
What is the InChIKey of [4-[[4-(N,2-dimethylanilino)quinazolin-2-yl]amino]cyclohexyl]carbamic acid?
The InChIKey is SCEUMJSAEJEYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-15-7-3-6-10-20(15)28(2)21-18-8-4-5-9-19(18)26-22(27-21)24-16-11-13-17(14-12-16)25-23(29)30/h3-10,16-17,25H,11-14H2,1-2H3,(H,29,30)(H,24,26,27).
What are the key properties of [4-[[4-(N,2-dimethylanilino)quinazolin-2-yl]amino]cyclohexyl]carbamic acid?
[4-[[4-(N,2-dimethylanilino)quinazolin-2-yl]amino]cyclohexyl]carbamic acid has a molecular weight of 405.50 g/mol, XLogP of 4.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(N,2-dimethylanilino)quinazolin-2-yl]amino]cyclohexyl]carbamic acid is sourced from PubChem (CID 69014011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).