1-[2-amino-2-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]propyl]pyrrolidin-2-one

C20H21F2N5O — CID 175195792

IUPAC1-[2-amino-2-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]propyl]pyrrolidin-2-one
SMILESCn1cc(-c2cnc3cc(F)c(C(C)(N)CN4CCCC4=O)c(F)c3c2)cn1
InChIInChI=1S/C20H21F2N5O/c1-20(23,11-27-5-3-4-17(27)28)18-15(21)7-16-14(19(18)22)6-12(8-24-16)13-9-25-26(2)10-13/h6-10H,3-5,11,23H2,1-2H3
InChIKeyXAVHDDDUJXFOQL-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.71
Rot. Bonds4

About 1-[2-amino-2-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]propyl]pyrrolidin-2-one

1-[2-amino-2-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]propyl]pyrrolidin-2-one (PubChem CID 175195792) has the molecular formula C20H21F2N5O and a molecular weight of 385.42 g/mol. Its IUPAC name is 1-[2-amino-2-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-amino-2-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]propyl]pyrrolidin-2-one
PubChem CID175195792
Molecular FormulaC20H21F2N5O
Molecular Weight385.42 g/mol
Exact Mass385.17
IUPAC Name1-[2-amino-2-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]propyl]pyrrolidin-2-one
SMILESCn1cc(-c2cnc3cc(F)c(C(C)(N)CN4CCCC4=O)c(F)c3c2)cn1
InChIInChI=1S/C20H21F2N5O/c1-20(23,11-27-5-3-4-17(27)28)18-15(21)7-16-14(19(18)22)6-12(8-24-16)13-9-25-26(2)10-13/h6-10H,3-5,11,23H2,1-2H3
InChIKeyXAVHDDDUJXFOQL-UHFFFAOYSA-N
XLogP2.71
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-amino-2-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]propyl]pyrrolidin-2-one (CID 175195792) is 1-[2-amino-2-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-amino-2-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-amino-2-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]propyl]pyrrolidin-2-one is Cn1cc(-c2cnc3cc(F)c(C(C)(N)CN4CCCC4=O)c(F)c3c2)cn1.
What is the InChIKey of 1-[2-amino-2-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]propyl]pyrrolidin-2-one?
The InChIKey is XAVHDDDUJXFOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O/c1-20(23,11-27-5-3-4-17(27)28)18-15(21)7-16-14(19(18)22)6-12(8-24-16)13-9-25-26(2)10-13/h6-10H,3-5,11,23H2,1-2H3.
What are the key properties of 1-[2-amino-2-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]propyl]pyrrolidin-2-one?
1-[2-amino-2-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]propyl]pyrrolidin-2-one has a molecular weight of 385.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 175195792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).