N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-3,3-dimethylbutanamide

C19H26ClN3O — CID 42743578

IUPACN-[4-[(7-chloroquinolin-4-yl)amino]butyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCCCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C19H26ClN3O/c1-19(2,3)13-18(24)23-10-5-4-9-21-16-8-11-22-17-12-14(20)6-7-15(16)17/h6-8,11-12H,4-5,9-10,13H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyHMGRNXDCIYVGON-UHFFFAOYSA-N
MW347.89 g/mol
LogP4.63
Rot. Bonds7

About N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-3,3-dimethylbutanamide

N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-3,3-dimethylbutanamide (PubChem CID 42743578) has the molecular formula C19H26ClN3O and a molecular weight of 347.89 g/mol. Its IUPAC name is N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[4-[(7-chloroquinolin-4-yl)amino]butyl]-3,3-dimethylbutanamide
PubChem CID42743578
Molecular FormulaC19H26ClN3O
Molecular Weight347.89 g/mol
Exact Mass347.18
IUPAC NameN-[4-[(7-chloroquinolin-4-yl)amino]butyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCCCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C19H26ClN3O/c1-19(2,3)13-18(24)23-10-5-4-9-21-16-8-11-22-17-12-14(20)6-7-15(16)17/h6-8,11-12H,4-5,9-10,13H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyHMGRNXDCIYVGON-UHFFFAOYSA-N
XLogP4.63
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-3,3-dimethylbutanamide (CID 42743578) is N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCCCCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-3,3-dimethylbutanamide?
The InChIKey is HMGRNXDCIYVGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O/c1-19(2,3)13-18(24)23-10-5-4-9-21-16-8-11-22-17-12-14(20)6-7-15(16)17/h6-8,11-12H,4-5,9-10,13H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-3,3-dimethylbutanamide?
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-3,3-dimethylbutanamide has a molecular weight of 347.89 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 42743578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).