N-[(3R,4aR,10bS)-7-methyl-2,5-dioxo-4,4a,6,10b-tetrahydro-3H-pyrano[3,2-c]quinolin-3-yl]benzamide

C20H18N2O4 — CID 7831985

IUPACN-[(3R,4aR,10bS)-7-methyl-2,5-dioxo-4,4a,6,10b-tetrahydro-3H-pyrano[3,2-c]quinolin-3-yl]benzamide
SMILESCc1cccc2c1NC(=O)[C@@H]1C[C@@H](NC(=O)c3ccccc3)C(=O)O[C@H]21
InChIInChI=1S/C20H18N2O4/c1-11-6-5-9-13-16(11)22-19(24)14-10-15(20(25)26-17(13)14)21-18(23)12-7-3-2-4-8-12/h2-9,14-15,17H,10H2,1H3,(H,21,23)(H,22,24)/t14-,15-,17-/m1/s1
InChIKeyQHSAXOQLOCXRTL-BFYDXBDKSA-N
MW350.37 g/mol
LogP2.35
Rot. Bonds2

About N-[(3R,4aR,10bS)-7-methyl-2,5-dioxo-4,4a,6,10b-tetrahydro-3H-pyrano[3,2-c]quinolin-3-yl]benzamide

N-[(3R,4aR,10bS)-7-methyl-2,5-dioxo-4,4a,6,10b-tetrahydro-3H-pyrano[3,2-c]quinolin-3-yl]benzamide (PubChem CID 7831985) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is N-[(3R,4aR,10bS)-7-methyl-2,5-dioxo-4,4a,6,10b-tetrahydro-3H-pyrano[3,2-c]quinolin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(3R,4aR,10bS)-7-methyl-2,5-dioxo-4,4a,6,10b-tetrahydro-3H-pyrano[3,2-c]quinolin-3-yl]benzamide
PubChem CID7831985
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC NameN-[(3R,4aR,10bS)-7-methyl-2,5-dioxo-4,4a,6,10b-tetrahydro-3H-pyrano[3,2-c]quinolin-3-yl]benzamide
SMILESCc1cccc2c1NC(=O)[C@@H]1C[C@@H](NC(=O)c3ccccc3)C(=O)O[C@H]21
InChIInChI=1S/C20H18N2O4/c1-11-6-5-9-13-16(11)22-19(24)14-10-15(20(25)26-17(13)14)21-18(23)12-7-3-2-4-8-12/h2-9,14-15,17H,10H2,1H3,(H,21,23)(H,22,24)/t14-,15-,17-/m1/s1
InChIKeyQHSAXOQLOCXRTL-BFYDXBDKSA-N
XLogP2.35
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3R,4aR,10bS)-7-methyl-2,5-dioxo-4,4a,6,10b-tetrahydro-3H-pyrano[3,2-c]quinolin-3-yl]benzamide with MolForge

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Related Compounds

N-[(3R,4aS,10bS)-7-methyl-2,5-dioxo-4,4a,6,10b-tetrahydro-3H-pyrano[3,2-c]quinolin-3-yl]propanamide
CID 7801310
N-[5-(bromomethyl)-2-oxooxolan-3-yl]benzamide
CID 570114
N-[(3S,5S)-2-oxo-5-phenyloxolan-3-yl]benzamide
CID 102525266
N-[(3R,5R)-5-(4-bromophenyl)-2-oxooxolan-3-yl]benzamide
CID 102525271
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
3-anilino-7-methyl-1,3-dihydroindol-2-one
CID 114996622
3-(1-adamantyl)-7-methyl-1,3-dihydroindol-2-one
CID 106986659
N-(3-oxooxazinan-4-yl)benzamide
CID 22561655
N-[(3S,6R)-2-oxo-6-(trifluoromethyl)oxan-3-yl]benzamide
CID 9102312
butyl (2S)-3-[(2S,4S)-4-benzamido-5-oxooxolan-2-yl]-2-hydroxypropanoate
CID 10569790
7-methyl-3-[(2-methylcyclopropyl)amino]-1,3-dihydroindol-2-one
CID 115001699
N-[(2S,4R,6S)-2-ethyl-6-(2-methylphenyl)oxan-4-yl]benzamide
CID 50957827

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4aR,10bS)-7-methyl-2,5-dioxo-4,4a,6,10b-tetrahydro-3H-pyrano[3,2-c]quinolin-3-yl]benzamide?
The IUPAC name of N-[(3R,4aR,10bS)-7-methyl-2,5-dioxo-4,4a,6,10b-tetrahydro-3H-pyrano[3,2-c]quinolin-3-yl]benzamide (CID 7831985) is N-[(3R,4aR,10bS)-7-methyl-2,5-dioxo-4,4a,6,10b-tetrahydro-3H-pyrano[3,2-c]quinolin-3-yl]benzamide.
What is the SMILES notation for N-[(3R,4aR,10bS)-7-methyl-2,5-dioxo-4,4a,6,10b-tetrahydro-3H-pyrano[3,2-c]quinolin-3-yl]benzamide?
The canonical SMILES for N-[(3R,4aR,10bS)-7-methyl-2,5-dioxo-4,4a,6,10b-tetrahydro-3H-pyrano[3,2-c]quinolin-3-yl]benzamide is Cc1cccc2c1NC(=O)[C@@H]1C[C@@H](NC(=O)c3ccccc3)C(=O)O[C@H]21.
What is the InChIKey of N-[(3R,4aR,10bS)-7-methyl-2,5-dioxo-4,4a,6,10b-tetrahydro-3H-pyrano[3,2-c]quinolin-3-yl]benzamide?
The InChIKey is QHSAXOQLOCXRTL-BFYDXBDKSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-11-6-5-9-13-16(11)22-19(24)14-10-15(20(25)26-17(13)14)21-18(23)12-7-3-2-4-8-12/h2-9,14-15,17H,10H2,1H3,(H,21,23)(H,22,24)/t14-,15-,17-/m1/s1.
What are the key properties of N-[(3R,4aR,10bS)-7-methyl-2,5-dioxo-4,4a,6,10b-tetrahydro-3H-pyrano[3,2-c]quinolin-3-yl]benzamide?
N-[(3R,4aR,10bS)-7-methyl-2,5-dioxo-4,4a,6,10b-tetrahydro-3H-pyrano[3,2-c]quinolin-3-yl]benzamide has a molecular weight of 350.37 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4aR,10bS)-7-methyl-2,5-dioxo-4,4a,6,10b-tetrahydro-3H-pyrano[3,2-c]quinolin-3-yl]benzamide is sourced from PubChem (CID 7831985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).