4-[[(6-chloroquinolin-2-yl)amino]methyl]-1-cyclopropylpyrrolidin-2-one

C17H18ClN3O — CID 131951838

IUPAC4-[[(6-chloroquinolin-2-yl)amino]methyl]-1-cyclopropylpyrrolidin-2-one
SMILESO=C1CC(CNc2ccc3cc(Cl)ccc3n2)CN1C1CC1
InChIInChI=1S/C17H18ClN3O/c18-13-2-5-15-12(8-13)1-6-16(20-15)19-9-11-7-17(22)21(10-11)14-3-4-14/h1-2,5-6,8,11,14H,3-4,7,9-10H2,(H,19,20)
InChIKeyMMIUKAATXOTPJQ-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.31
Rot. Bonds4

About 4-[[(6-chloroquinolin-2-yl)amino]methyl]-1-cyclopropylpyrrolidin-2-one

4-[[(6-chloroquinolin-2-yl)amino]methyl]-1-cyclopropylpyrrolidin-2-one (PubChem CID 131951838) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is 4-[[(6-chloroquinolin-2-yl)amino]methyl]-1-cyclopropylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[[(6-chloroquinolin-2-yl)amino]methyl]-1-cyclopropylpyrrolidin-2-one
PubChem CID131951838
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name4-[[(6-chloroquinolin-2-yl)amino]methyl]-1-cyclopropylpyrrolidin-2-one
SMILESO=C1CC(CNc2ccc3cc(Cl)ccc3n2)CN1C1CC1
InChIInChI=1S/C17H18ClN3O/c18-13-2-5-15-12(8-13)1-6-16(20-15)19-9-11-7-17(22)21(10-11)14-3-4-14/h1-2,5-6,8,11,14H,3-4,7,9-10H2,(H,19,20)
InChIKeyMMIUKAATXOTPJQ-UHFFFAOYSA-N
XLogP3.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(6-chloroquinolin-2-yl)amino]methyl]-1-cyclopropylpyrrolidin-2-one?
The IUPAC name of 4-[[(6-chloroquinolin-2-yl)amino]methyl]-1-cyclopropylpyrrolidin-2-one (CID 131951838) is 4-[[(6-chloroquinolin-2-yl)amino]methyl]-1-cyclopropylpyrrolidin-2-one.
What is the SMILES notation for 4-[[(6-chloroquinolin-2-yl)amino]methyl]-1-cyclopropylpyrrolidin-2-one?
The canonical SMILES for 4-[[(6-chloroquinolin-2-yl)amino]methyl]-1-cyclopropylpyrrolidin-2-one is O=C1CC(CNc2ccc3cc(Cl)ccc3n2)CN1C1CC1.
What is the InChIKey of 4-[[(6-chloroquinolin-2-yl)amino]methyl]-1-cyclopropylpyrrolidin-2-one?
The InChIKey is MMIUKAATXOTPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c18-13-2-5-15-12(8-13)1-6-16(20-15)19-9-11-7-17(22)21(10-11)14-3-4-14/h1-2,5-6,8,11,14H,3-4,7,9-10H2,(H,19,20).
What are the key properties of 4-[[(6-chloroquinolin-2-yl)amino]methyl]-1-cyclopropylpyrrolidin-2-one?
4-[[(6-chloroquinolin-2-yl)amino]methyl]-1-cyclopropylpyrrolidin-2-one has a molecular weight of 315.80 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-chloroquinolin-2-yl)amino]methyl]-1-cyclopropylpyrrolidin-2-one is sourced from PubChem (CID 131951838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).