8-(6-amino-3-pyridinyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylate

C19H16N3O3- — CID 140617062

IUPAC8-(6-amino-3-pyridinyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylate
SMILESCc1c(-c2ccc(N)nc2)ccn2c(=O)c(C(=O)[O-])cc(C3CC3)c12
InChIInChI=1S/C19H17N3O3/c1-10-13(12-4-5-16(20)21-9-12)6-7-22-17(10)14(11-2-3-11)8-15(18(22)23)19(24)25/h4-9,11H,2-3H2,1H3,(H2,20,21)(H,24,25)/p-1
InChIKeyYFFNSFCALZLNND-UHFFFAOYSA-M
MW334.36 g/mol
LogP1.49
Rot. Bonds3

About 8-(6-amino-3-pyridinyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylate

8-(6-amino-3-pyridinyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylate (PubChem CID 140617062) has the molecular formula C19H16N3O3- and a molecular weight of 334.36 g/mol. Its IUPAC name is 8-(6-amino-3-pyridinyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylate.

Molecular Properties

Compound Name8-(6-amino-3-pyridinyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylate
PubChem CID140617062
Molecular FormulaC19H16N3O3-
Molecular Weight334.36 g/mol
Exact Mass334.12
IUPAC Name8-(6-amino-3-pyridinyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylate
SMILESCc1c(-c2ccc(N)nc2)ccn2c(=O)c(C(=O)[O-])cc(C3CC3)c12
InChIInChI=1S/C19H17N3O3/c1-10-13(12-4-5-16(20)21-9-12)6-7-22-17(10)14(11-2-3-11)8-15(18(22)23)19(24)25/h4-9,11H,2-3H2,1H3,(H2,20,21)(H,24,25)/p-1
InChIKeyYFFNSFCALZLNND-UHFFFAOYSA-M
XLogP1.49
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(6-amino-3-pyridinyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylate?
The IUPAC name of 8-(6-amino-3-pyridinyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylate (CID 140617062) is 8-(6-amino-3-pyridinyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylate.
What is the SMILES notation for 8-(6-amino-3-pyridinyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylate?
The canonical SMILES for 8-(6-amino-3-pyridinyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylate is Cc1c(-c2ccc(N)nc2)ccn2c(=O)c(C(=O)[O-])cc(C3CC3)c12.
What is the InChIKey of 8-(6-amino-3-pyridinyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylate?
The InChIKey is YFFNSFCALZLNND-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H17N3O3/c1-10-13(12-4-5-16(20)21-9-12)6-7-22-17(10)14(11-2-3-11)8-15(18(22)23)19(24)25/h4-9,11H,2-3H2,1H3,(H2,20,21)(H,24,25)/p-1.
What are the key properties of 8-(6-amino-3-pyridinyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylate?
8-(6-amino-3-pyridinyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylate has a molecular weight of 334.36 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-amino-3-pyridinyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylate is sourced from PubChem (CID 140617062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).