1-cyclopropyl-8-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-7-fluoro-9-methylquinolizin-4-one

C19H24FN3O — CID 56621549

IUPAC1-cyclopropyl-8-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-7-fluoro-9-methylquinolizin-4-one
SMILESCc1c(N2CC[C@@H](N(C)C)C2)c(F)cn2c(=O)ccc(C3CC3)c12
InChIInChI=1S/C19H24FN3O/c1-12-18-15(13-4-5-13)6-7-17(24)23(18)11-16(20)19(12)22-9-8-14(10-22)21(2)3/h6-7,11,13-14H,4-5,8-10H2,1-3H3/t14-/m1/s1
InChIKeyYAZSIRHEXDKOEZ-CQSZACIVSA-N
MW329.42 g/mol
LogP2.76
Rot. Bonds3

About 1-cyclopropyl-8-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-7-fluoro-9-methylquinolizin-4-one

1-cyclopropyl-8-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-7-fluoro-9-methylquinolizin-4-one (PubChem CID 56621549) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-cyclopropyl-8-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-7-fluoro-9-methylquinolizin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-8-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-7-fluoro-9-methylquinolizin-4-one
PubChem CID56621549
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name1-cyclopropyl-8-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-7-fluoro-9-methylquinolizin-4-one
SMILESCc1c(N2CC[C@@H](N(C)C)C2)c(F)cn2c(=O)ccc(C3CC3)c12
InChIInChI=1S/C19H24FN3O/c1-12-18-15(13-4-5-13)6-7-17(24)23(18)11-16(20)19(12)22-9-8-14(10-22)21(2)3/h6-7,11,13-14H,4-5,8-10H2,1-3H3/t14-/m1/s1
InChIKeyYAZSIRHEXDKOEZ-CQSZACIVSA-N
XLogP2.76
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-8-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-7-fluoro-9-methylquinolizin-4-one?
The IUPAC name of 1-cyclopropyl-8-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-7-fluoro-9-methylquinolizin-4-one (CID 56621549) is 1-cyclopropyl-8-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-7-fluoro-9-methylquinolizin-4-one.
What is the SMILES notation for 1-cyclopropyl-8-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-7-fluoro-9-methylquinolizin-4-one?
The canonical SMILES for 1-cyclopropyl-8-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-7-fluoro-9-methylquinolizin-4-one is Cc1c(N2CC[C@@H](N(C)C)C2)c(F)cn2c(=O)ccc(C3CC3)c12.
What is the InChIKey of 1-cyclopropyl-8-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-7-fluoro-9-methylquinolizin-4-one?
The InChIKey is YAZSIRHEXDKOEZ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-12-18-15(13-4-5-13)6-7-17(24)23(18)11-16(20)19(12)22-9-8-14(10-22)21(2)3/h6-7,11,13-14H,4-5,8-10H2,1-3H3/t14-/m1/s1.
What are the key properties of 1-cyclopropyl-8-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-7-fluoro-9-methylquinolizin-4-one?
1-cyclopropyl-8-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-7-fluoro-9-methylquinolizin-4-one has a molecular weight of 329.42 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-8-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-7-fluoro-9-methylquinolizin-4-one is sourced from PubChem (CID 56621549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).