1-[5-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine

C21H21ClF2N4 — CID 67508116

IUPAC1-[5-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCc1c(-c2ccc(N3CCC(N(C)C)C3)nc2)nc2cc(F)cc(F)c2c1Cl
InChIInChI=1S/C21H21ClF2N4/c1-12-20(22)19-16(24)8-14(23)9-17(19)26-21(12)13-4-5-18(25-10-13)28-7-6-15(11-28)27(2)3/h4-5,8-10,15H,6-7,11H2,1-3H3
InChIKeyNEDGZYWONSFUHX-UHFFFAOYSA-N
MW402.88 g/mol
LogP4.68
Rot. Bonds3

About 1-[5-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine

1-[5-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 67508116) has the molecular formula C21H21ClF2N4 and a molecular weight of 402.88 g/mol. Its IUPAC name is 1-[5-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[5-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID67508116
Molecular FormulaC21H21ClF2N4
Molecular Weight402.88 g/mol
Exact Mass402.14
IUPAC Name1-[5-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCc1c(-c2ccc(N3CCC(N(C)C)C3)nc2)nc2cc(F)cc(F)c2c1Cl
InChIInChI=1S/C21H21ClF2N4/c1-12-20(22)19-16(24)8-14(23)9-17(19)26-21(12)13-4-5-18(25-10-13)28-7-6-15(11-28)27(2)3/h4-5,8-10,15H,6-7,11H2,1-3H3
InChIKeyNEDGZYWONSFUHX-UHFFFAOYSA-N
XLogP4.68
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[5-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine (CID 67508116) is 1-[5-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[5-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[5-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine is Cc1c(-c2ccc(N3CCC(N(C)C)C3)nc2)nc2cc(F)cc(F)c2c1Cl.
What is the InChIKey of 1-[5-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is NEDGZYWONSFUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF2N4/c1-12-20(22)19-16(24)8-14(23)9-17(19)26-21(12)13-4-5-18(25-10-13)28-7-6-15(11-28)27(2)3/h4-5,8-10,15H,6-7,11H2,1-3H3.
What are the key properties of 1-[5-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine?
1-[5-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 402.88 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 67508116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).