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

C27H26FN3O4 — CID 140663126

IUPACN-[4-(9-fluoro-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)cyclohexyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESO=C1COc2ccc(C(=O)NC3CCC(C4COc5cnc6ccc(F)cc6c5C4)CC3)cc2N1
InChIInChI=1S/C27H26FN3O4/c28-18-4-7-22-20(11-18)21-9-17(13-34-25(21)12-29-22)15-1-5-19(6-2-15)30-27(33)16-3-8-24-23(10-16)31-26(32)14-35-24/h3-4,7-8,10-12,15,17,19H,1-2,5-6,9,13-14H2,(H,30,33)(H,31,32)
InChIKeyUIRWVIXQNZHNAU-UHFFFAOYSA-N
MW475.52 g/mol
LogP4.24
Rot. Bonds3

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

N-[4-(9-fluoro-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)cyclohexyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 140663126) has the molecular formula C27H26FN3O4 and a molecular weight of 475.52 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-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-[4-(9-fluoro-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)cyclohexyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
PubChem CID140663126
Molecular FormulaC27H26FN3O4
Molecular Weight475.52 g/mol
Exact Mass475.19
IUPAC NameN-[4-(9-fluoro-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)cyclohexyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESO=C1COc2ccc(C(=O)NC3CCC(C4COc5cnc6ccc(F)cc6c5C4)CC3)cc2N1
InChIInChI=1S/C27H26FN3O4/c28-18-4-7-22-20(11-18)21-9-17(13-34-25(21)12-29-22)15-1-5-19(6-2-15)30-27(33)16-3-8-24-23(10-16)31-26(32)14-35-24/h3-4,7-8,10-12,15,17,19H,1-2,5-6,9,13-14H2,(H,30,33)(H,31,32)
InChIKeyUIRWVIXQNZHNAU-UHFFFAOYSA-N
XLogP4.24
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-1,4-benzoxazine-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-1,4-benzoxazine-6-carboxamide (CID 140663126) is N-[4-(9-fluoro-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)cyclohexyl]-3-oxo-4H-1,4-benzoxazine-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-1,4-benzoxazine-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-1,4-benzoxazine-6-carboxamide is O=C1COc2ccc(C(=O)NC3CCC(C4COc5cnc6ccc(F)cc6c5C4)CC3)cc2N1.
What is the InChIKey of N-[4-(9-fluoro-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)cyclohexyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is UIRWVIXQNZHNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O4/c28-18-4-7-22-20(11-18)21-9-17(13-34-25(21)12-29-22)15-1-5-19(6-2-15)30-27(33)16-3-8-24-23(10-16)31-26(32)14-35-24/h3-4,7-8,10-12,15,17,19H,1-2,5-6,9,13-14H2,(H,30,33)(H,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-1,4-benzoxazine-6-carboxamide?
N-[4-(9-fluoro-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)cyclohexyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 475.52 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 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-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 140663126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).