6-[3-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-2H-isoquinolin-1-one

C19H18N2O3 — CID 155956310

IUPAC6-[3-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESO=C1NCCc2cc(C(=O)N3CC(CO)c4ccccc43)ccc21
InChIInChI=1S/C19H18N2O3/c22-11-14-10-21(17-4-2-1-3-15(14)17)19(24)13-5-6-16-12(9-13)7-8-20-18(16)23/h1-6,9,14,22H,7-8,10-11H2,(H,20,23)
InChIKeyNMEFSFPJXCZEBD-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.71
Rot. Bonds2

About 6-[3-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-2H-isoquinolin-1-one

6-[3-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 155956310) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 6-[3-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-[3-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID155956310
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name6-[3-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESO=C1NCCc2cc(C(=O)N3CC(CO)c4ccccc43)ccc21
InChIInChI=1S/C19H18N2O3/c22-11-14-10-21(17-4-2-1-3-15(14)17)19(24)13-5-6-16-12(9-13)7-8-20-18(16)23/h1-6,9,14,22H,7-8,10-11H2,(H,20,23)
InChIKeyNMEFSFPJXCZEBD-UHFFFAOYSA-N
XLogP1.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-cyclopropyl-3-pyridinyl)-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]methanone
CID 128535298
[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 136545301
[(1S,2aR,8bR)-4-(4-fluorobenzoyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-phenylmethanone
CID 54653752
methyl 2-[1-(4-methylbenzoyl)-2,3-dihydroindol-3-yl]acetate
CID 52988793
methyl 2-[(3S)-1-(4-methylbenzoyl)-2,3-dihydroindol-3-yl]acetate
CID 52904842
1-[(1S,2aS,8bS)-1-(hydroxymethyl)-4-(3-methoxybenzoyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]ethanone
CID 54653287
3-[3-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindole-1-carbonyl]phenyl]-1H-imidazol-2-one
CID 166375690
(3S)-5-(4-acetylbenzoyl)-3-amino-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 118076604
1-[2-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 96570582
6-methyl-3,4-dihydro-2H-isoquinolin-1-one
CID 22890891
methyl 2-[1-[3-(dimethylamino)benzoyl]-2,3-dihydroindol-3-yl]acetate
CID 110672601
[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 63235606

Frequently Asked Questions

What is the IUPAC name of 6-[3-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 6-[3-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-2H-isoquinolin-1-one (CID 155956310) is 6-[3-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 6-[3-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 6-[3-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-2H-isoquinolin-1-one is O=C1NCCc2cc(C(=O)N3CC(CO)c4ccccc43)ccc21.
What is the InChIKey of 6-[3-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is NMEFSFPJXCZEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-11-14-10-21(17-4-2-1-3-15(14)17)19(24)13-5-6-16-12(9-13)7-8-20-18(16)23/h1-6,9,14,22H,7-8,10-11H2,(H,20,23).
What are the key properties of 6-[3-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-2H-isoquinolin-1-one?
6-[3-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 322.36 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 155956310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).