2-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-N-cyclopropylquinoline-4-carboxamide

C21H20ClN3O2 — CID 133445140

IUPAC2-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-N-cyclopropylquinoline-4-carboxamide
SMILESO=C(NC1CC1)c1cc(NC(CO)c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C21H20ClN3O2/c22-14-7-5-13(6-8-14)19(12-26)25-20-11-17(21(27)23-15-9-10-15)16-3-1-2-4-18(16)24-20/h1-8,11,15,19,26H,9-10,12H2,(H,23,27)(H,24,25)
InChIKeyVQSWYDGTXQXDHA-UHFFFAOYSA-N
MW381.86 g/mol
LogP3.93
Rot. Bonds6

About 2-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-N-cyclopropylquinoline-4-carboxamide

2-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-N-cyclopropylquinoline-4-carboxamide (PubChem CID 133445140) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-N-cyclopropylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-N-cyclopropylquinoline-4-carboxamide
PubChem CID133445140
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name2-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-N-cyclopropylquinoline-4-carboxamide
SMILESO=C(NC1CC1)c1cc(NC(CO)c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C21H20ClN3O2/c22-14-7-5-13(6-8-14)19(12-26)25-20-11-17(21(27)23-15-9-10-15)16-3-1-2-4-18(16)24-20/h1-8,11,15,19,26H,9-10,12H2,(H,23,27)(H,24,25)
InChIKeyVQSWYDGTXQXDHA-UHFFFAOYSA-N
XLogP3.93
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-N-cyclopropylquinoline-4-carboxamide?
The IUPAC name of 2-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-N-cyclopropylquinoline-4-carboxamide (CID 133445140) is 2-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-N-cyclopropylquinoline-4-carboxamide.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-N-cyclopropylquinoline-4-carboxamide?
The canonical SMILES for 2-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-N-cyclopropylquinoline-4-carboxamide is O=C(NC1CC1)c1cc(NC(CO)c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-N-cyclopropylquinoline-4-carboxamide?
The InChIKey is VQSWYDGTXQXDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c22-14-7-5-13(6-8-14)19(12-26)25-20-11-17(21(27)23-15-9-10-15)16-3-1-2-4-18(16)24-20/h1-8,11,15,19,26H,9-10,12H2,(H,23,27)(H,24,25).
What are the key properties of 2-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-N-cyclopropylquinoline-4-carboxamide?
2-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-N-cyclopropylquinoline-4-carboxamide has a molecular weight of 381.86 g/mol, XLogP of 3.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-N-cyclopropylquinoline-4-carboxamide is sourced from PubChem (CID 133445140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).