N-[4-(9-fluoro-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)cyclohexyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide

C26H25FN4O4 — CID 140663121

IUPACN-[4-(9-fluoro-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)cyclohexyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide
SMILESO=C1COc2ccc(C(=O)NC3CCC(C4COc5cnc6ccc(F)cc6c5C4)CC3)nc2N1
InChIInChI=1S/C26H25FN4O4/c27-16-3-6-20-18(10-16)19-9-15(12-34-23(19)11-28-20)14-1-4-17(5-2-14)29-26(33)21-7-8-22-25(30-21)31-24(32)13-35-22/h3,6-8,10-11,14-15,17H,1-2,4-5,9,12-13H2,(H,29,33)(H,30,31,32)
InChIKeyGJFRPYJZCLUQDF-UHFFFAOYSA-N
MW476.51 g/mol
LogP3.64
Rot. Bonds3

About N-[4-(9-fluoro-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)cyclohexyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide

N-[4-(9-fluoro-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)cyclohexyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide (PubChem CID 140663121) has the molecular formula C26H25FN4O4 and a molecular weight of 476.51 g/mol. Its IUPAC name is N-[4-(9-fluoro-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)cyclohexyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide.

Molecular Properties

Compound NameN-[4-(9-fluoro-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)cyclohexyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide
PubChem CID140663121
Molecular FormulaC26H25FN4O4
Molecular Weight476.51 g/mol
Exact Mass476.19
IUPAC NameN-[4-(9-fluoro-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)cyclohexyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide
SMILESO=C1COc2ccc(C(=O)NC3CCC(C4COc5cnc6ccc(F)cc6c5C4)CC3)nc2N1
InChIInChI=1S/C26H25FN4O4/c27-16-3-6-20-18(10-16)19-9-15(12-34-23(19)11-28-20)14-1-4-17(5-2-14)29-26(33)21-7-8-22-25(30-21)31-24(32)13-35-22/h3,6-8,10-11,14-15,17H,1-2,4-5,9,12-13H2,(H,29,33)(H,30,31,32)
InChIKeyGJFRPYJZCLUQDF-UHFFFAOYSA-N
XLogP3.64
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(9-fluoro-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)cyclohexyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(9-fluoro-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)cyclohexyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide?
The IUPAC name of N-[4-(9-fluoro-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)cyclohexyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide (CID 140663121) is N-[4-(9-fluoro-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)cyclohexyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide.
What is the SMILES notation for N-[4-(9-fluoro-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)cyclohexyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide?
The canonical SMILES for N-[4-(9-fluoro-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)cyclohexyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide is O=C1COc2ccc(C(=O)NC3CCC(C4COc5cnc6ccc(F)cc6c5C4)CC3)nc2N1.
What is the InChIKey of N-[4-(9-fluoro-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)cyclohexyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide?
The InChIKey is GJFRPYJZCLUQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O4/c27-16-3-6-20-18(10-16)19-9-15(12-34-23(19)11-28-20)14-1-4-17(5-2-14)29-26(33)21-7-8-22-25(30-21)31-24(32)13-35-22/h3,6-8,10-11,14-15,17H,1-2,4-5,9,12-13H2,(H,29,33)(H,30,31,32).
What are the key properties of N-[4-(9-fluoro-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)cyclohexyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide?
N-[4-(9-fluoro-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)cyclohexyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide has a molecular weight of 476.51 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-fluoro-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)cyclohexyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide is sourced from PubChem (CID 140663121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).