(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone

C18H18ClFN4O — CID 55778052

IUPAC(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1nc(N2CCCC2)ncc1Cl)N1CCCc2cc(F)ccc21
InChIInChI=1S/C18H18ClFN4O/c19-14-11-21-18(23-7-1-2-8-23)22-16(14)17(25)24-9-3-4-12-10-13(20)5-6-15(12)24/h5-6,10-11H,1-4,7-9H2
InChIKeyKNODDGPKRFVCKT-UHFFFAOYSA-N
MW360.82 g/mol
LogP3.46
Rot. Bonds2

About (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone

(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 55778052) has the molecular formula C18H18ClFN4O and a molecular weight of 360.82 g/mol. Its IUPAC name is (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID55778052
Molecular FormulaC18H18ClFN4O
Molecular Weight360.82 g/mol
Exact Mass360.12
IUPAC Name(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1nc(N2CCCC2)ncc1Cl)N1CCCc2cc(F)ccc21
InChIInChI=1S/C18H18ClFN4O/c19-14-11-21-18(23-7-1-2-8-23)22-16(14)17(25)24-9-3-4-12-10-13(20)5-6-15(12)24/h5-6,10-11H,1-4,7-9H2
InChIKeyKNODDGPKRFVCKT-UHFFFAOYSA-N
XLogP3.46
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 55778052) is (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1nc(N2CCCC2)ncc1Cl)N1CCCc2cc(F)ccc21.
What is the InChIKey of (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is KNODDGPKRFVCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN4O/c19-14-11-21-18(23-7-1-2-8-23)22-16(14)17(25)24-9-3-4-12-10-13(20)5-6-15(12)24/h5-6,10-11H,1-4,7-9H2.
What are the key properties of (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 360.82 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 55778052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).