N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylcyclobutanecarboxamide

C18H22ClN3O — CID 42743654

IUPACN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylcyclobutanecarboxamide
SMILESCN(CCCNc1ccnc2cc(Cl)ccc12)C(=O)C1CCC1
InChIInChI=1S/C18H22ClN3O/c1-22(18(23)13-4-2-5-13)11-3-9-20-16-8-10-21-17-12-14(19)6-7-15(16)17/h6-8,10,12-13H,2-5,9,11H2,1H3,(H,20,21)
InChIKeyXKQOAIYBRBYUDA-UHFFFAOYSA-N
MW331.85 g/mol
LogP3.95
Rot. Bonds6

About N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylcyclobutanecarboxamide

N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylcyclobutanecarboxamide (PubChem CID 42743654) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylcyclobutanecarboxamide
PubChem CID42743654
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC NameN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylcyclobutanecarboxamide
SMILESCN(CCCNc1ccnc2cc(Cl)ccc12)C(=O)C1CCC1
InChIInChI=1S/C18H22ClN3O/c1-22(18(23)13-4-2-5-13)11-3-9-20-16-8-10-21-17-12-14(19)6-7-15(16)17/h6-8,10,12-13H,2-5,9,11H2,1H3,(H,20,21)
InChIKeyXKQOAIYBRBYUDA-UHFFFAOYSA-N
XLogP3.95
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbenzamide
CID 42743625
5-[(7-chloroquinolin-4-yl)amino]pentanamide
CID 106238925
N-(7-chloroquinolin-4-yl)-N',N'-bis[3-[(7-chloroquinolin-4-yl)amino]propyl]butane-1,4-diamine
CID 130467293
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methyl-2-phenylmethoxyacetamide
CID 42743664
4-[(7-chloroquinolin-4-yl)amino]-N-cyclopropylbutanamide
CID 112730857
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride
CID 21424794
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
CID 42743564
tert-butyl N-[3-[3-[(7-chloroquinolin-4-yl)amino]propyl-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]butyl]amino]propyl]carbamate
CID 118890347
7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine
CID 11824896
N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62639989
N-(7-chloroquinolin-4-yl)-N',N'-diethylbutane-1,4-diamine;phosphoric acid
CID 54601191

Frequently Asked Questions

What is the IUPAC name of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylcyclobutanecarboxamide?
The IUPAC name of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylcyclobutanecarboxamide (CID 42743654) is N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylcyclobutanecarboxamide.
What is the SMILES notation for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylcyclobutanecarboxamide?
The canonical SMILES for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylcyclobutanecarboxamide is CN(CCCNc1ccnc2cc(Cl)ccc12)C(=O)C1CCC1.
What is the InChIKey of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylcyclobutanecarboxamide?
The InChIKey is XKQOAIYBRBYUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-22(18(23)13-4-2-5-13)11-3-9-20-16-8-10-21-17-12-14(19)6-7-15(16)17/h6-8,10,12-13H,2-5,9,11H2,1H3,(H,20,21).
What are the key properties of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylcyclobutanecarboxamide?
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylcyclobutanecarboxamide has a molecular weight of 331.85 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylcyclobutanecarboxamide is sourced from PubChem (CID 42743654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).