N-[2-[(4-chloro-8-fluoroquinolin-7-yl)amino]ethyl]cyclopropanecarboxamide

C15H15ClFN3O — CID 133305761

IUPACN-[2-[(4-chloro-8-fluoroquinolin-7-yl)amino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNc1ccc2c(Cl)ccnc2c1F)C1CC1
InChIInChI=1S/C15H15ClFN3O/c16-11-5-6-19-14-10(11)3-4-12(13(14)17)18-7-8-20-15(21)9-1-2-9/h3-6,9,18H,1-2,7-8H2,(H,20,21)
InChIKeyMWGHLVXJRHRXNM-UHFFFAOYSA-N
MW307.76 g/mol
LogP2.97
Rot. Bonds5

About N-[2-[(4-chloro-8-fluoroquinolin-7-yl)amino]ethyl]cyclopropanecarboxamide

N-[2-[(4-chloro-8-fluoroquinolin-7-yl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 133305761) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is N-[2-[(4-chloro-8-fluoroquinolin-7-yl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(4-chloro-8-fluoroquinolin-7-yl)amino]ethyl]cyclopropanecarboxamide
PubChem CID133305761
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC NameN-[2-[(4-chloro-8-fluoroquinolin-7-yl)amino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNc1ccc2c(Cl)ccnc2c1F)C1CC1
InChIInChI=1S/C15H15ClFN3O/c16-11-5-6-19-14-10(11)3-4-12(13(14)17)18-7-8-20-15(21)9-1-2-9/h3-6,9,18H,1-2,7-8H2,(H,20,21)
InChIKeyMWGHLVXJRHRXNM-UHFFFAOYSA-N
XLogP2.97
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 52.97
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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Related Compounds

1-(4-chloro-8-fluoroquinolin-7-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133453904
4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-8-fluoroquinolin-7-amine
CID 133297743
4-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-8-fluoroquinolin-7-amine
CID 133347573
1-[4-[(4-chloro-8-fluoroquinolin-7-yl)amino]piperidin-1-yl]-3-methoxypropan-1-one
CID 133377505
N-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 75424390
1-(4-chlorophenyl)sulfonyl-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperidine-4-carboxamide
CID 100798913
N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoropyridine-4-carboxamide
CID 115598986
2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-N,3-dimethylbutanamide
CID 133388131
N-[2-[(2-cyano-3-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 104696736
N-[2-(cyclopropanecarbonylamino)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105387425
1-(4-bromophenyl)sulfonyl-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperidine-4-carboxamide
CID 100799006
N-[2-(cyclopropanecarbonylamino)ethyl]-2,3,4-trifluorobenzamide
CID 108542400

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chloro-8-fluoroquinolin-7-yl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(4-chloro-8-fluoroquinolin-7-yl)amino]ethyl]cyclopropanecarboxamide (CID 133305761) is N-[2-[(4-chloro-8-fluoroquinolin-7-yl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(4-chloro-8-fluoroquinolin-7-yl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(4-chloro-8-fluoroquinolin-7-yl)amino]ethyl]cyclopropanecarboxamide is O=C(NCCNc1ccc2c(Cl)ccnc2c1F)C1CC1.
What is the InChIKey of N-[2-[(4-chloro-8-fluoroquinolin-7-yl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is MWGHLVXJRHRXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c16-11-5-6-19-14-10(11)3-4-12(13(14)17)18-7-8-20-15(21)9-1-2-9/h3-6,9,18H,1-2,7-8H2,(H,20,21).
What are the key properties of N-[2-[(4-chloro-8-fluoroquinolin-7-yl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(4-chloro-8-fluoroquinolin-7-yl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 307.76 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chloro-8-fluoroquinolin-7-yl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 133305761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).