N-(3-amino-4-methylpentyl)-6-chloro-2-cyclopropyl-N-methylquinoline-4-carboxamide

C20H26ClN3O — CID 119659842

IUPACN-(3-amino-4-methylpentyl)-6-chloro-2-cyclopropyl-N-methylquinoline-4-carboxamide
SMILESCC(C)C(N)CCN(C)C(=O)c1cc(C2CC2)nc2ccc(Cl)cc12
InChIInChI=1S/C20H26ClN3O/c1-12(2)17(22)8-9-24(3)20(25)16-11-19(13-4-5-13)23-18-7-6-14(21)10-15(16)18/h6-7,10-13,17H,4-5,8-9,22H2,1-3H3
InChIKeyLQDDMPRABVCJRQ-UHFFFAOYSA-N
MW359.90 g/mol
LogP4.21
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-6-chloro-2-cyclopropyl-N-methylquinoline-4-carboxamide

N-(3-amino-4-methylpentyl)-6-chloro-2-cyclopropyl-N-methylquinoline-4-carboxamide (PubChem CID 119659842) has the molecular formula C20H26ClN3O and a molecular weight of 359.90 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-6-chloro-2-cyclopropyl-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-6-chloro-2-cyclopropyl-N-methylquinoline-4-carboxamide
PubChem CID119659842
Molecular FormulaC20H26ClN3O
Molecular Weight359.90 g/mol
Exact Mass359.18
IUPAC NameN-(3-amino-4-methylpentyl)-6-chloro-2-cyclopropyl-N-methylquinoline-4-carboxamide
SMILESCC(C)C(N)CCN(C)C(=O)c1cc(C2CC2)nc2ccc(Cl)cc12
InChIInChI=1S/C20H26ClN3O/c1-12(2)17(22)8-9-24(3)20(25)16-11-19(13-4-5-13)23-18-7-6-14(21)10-15(16)18/h6-7,10-13,17H,4-5,8-9,22H2,1-3H3
InChIKeyLQDDMPRABVCJRQ-UHFFFAOYSA-N
XLogP4.21
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-6-chloro-2-cyclopropyl-N-methylquinoline-4-carboxamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-6-chloro-2-cyclopropyl-N-methylquinoline-4-carboxamide (CID 119659842) is N-(3-amino-4-methylpentyl)-6-chloro-2-cyclopropyl-N-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-6-chloro-2-cyclopropyl-N-methylquinoline-4-carboxamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-6-chloro-2-cyclopropyl-N-methylquinoline-4-carboxamide is CC(C)C(N)CCN(C)C(=O)c1cc(C2CC2)nc2ccc(Cl)cc12.
What is the InChIKey of N-(3-amino-4-methylpentyl)-6-chloro-2-cyclopropyl-N-methylquinoline-4-carboxamide?
The InChIKey is LQDDMPRABVCJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O/c1-12(2)17(22)8-9-24(3)20(25)16-11-19(13-4-5-13)23-18-7-6-14(21)10-15(16)18/h6-7,10-13,17H,4-5,8-9,22H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-6-chloro-2-cyclopropyl-N-methylquinoline-4-carboxamide?
N-(3-amino-4-methylpentyl)-6-chloro-2-cyclopropyl-N-methylquinoline-4-carboxamide has a molecular weight of 359.90 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-6-chloro-2-cyclopropyl-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 119659842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).