(2S)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-quinolin-3-ylpropanamide

C21H17N3O2 — CID 34031140

IUPAC(2S)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-quinolin-3-ylpropanamide
SMILESC=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C21H17N3O2/c1-13-17-8-4-5-9-18(17)21(26)24(13)14(2)20(25)23-16-11-15-7-3-6-10-19(15)22-12-16/h3-12,14H,1H2,2H3,(H,23,25)/t14-/m0/s1
InChIKeyANWKIFSWPBSZPB-AWEZNQCLSA-N
MW343.39 g/mol
LogP3.69
Rot. Bonds3

About (2S)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-quinolin-3-ylpropanamide

(2S)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-quinolin-3-ylpropanamide (PubChem CID 34031140) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is (2S)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-quinolin-3-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-quinolin-3-ylpropanamide
PubChem CID34031140
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name(2S)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-quinolin-3-ylpropanamide
SMILESC=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C21H17N3O2/c1-13-17-8-4-5-9-18(17)21(26)24(13)14(2)20(25)23-16-11-15-7-3-6-10-19(15)22-12-16/h3-12,14H,1H2,2H3,(H,23,25)/t14-/m0/s1
InChIKeyANWKIFSWPBSZPB-AWEZNQCLSA-N
XLogP3.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-quinolin-3-ylpropanamide
CID 51513126
(2R)-N-(3-chlorophenyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 31779050
2-chloro-N-quinolin-3-ylpropanamide
CID 43346759
2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)propanamide
CID 24666659
methyl 4-[[(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)propanoyl]amino]benzoate
CID 31781233
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
(2R)-N-[3-(methanesulfonamido)-4-methylphenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 52534515
N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 166205999
(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 94017800
(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 38468072
(2R)-2-(carbamoylamino)-3-methyl-N-quinolin-3-ylbutanamide
CID 29330454
3-amino-3-hydroxyimino-2-methyl-N-quinolin-3-ylpropanamide
CID 76949639

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-quinolin-3-ylpropanamide?
The IUPAC name of (2S)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-quinolin-3-ylpropanamide (CID 34031140) is (2S)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-quinolin-3-ylpropanamide.
What is the SMILES notation for (2S)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-quinolin-3-ylpropanamide?
The canonical SMILES for (2S)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-quinolin-3-ylpropanamide is C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1cnc2ccccc2c1.
What is the InChIKey of (2S)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-quinolin-3-ylpropanamide?
The InChIKey is ANWKIFSWPBSZPB-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-13-17-8-4-5-9-18(17)21(26)24(13)14(2)20(25)23-16-11-15-7-3-6-10-19(15)22-12-16/h3-12,14H,1H2,2H3,(H,23,25)/t14-/m0/s1.
What are the key properties of (2S)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-quinolin-3-ylpropanamide?
(2S)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-quinolin-3-ylpropanamide has a molecular weight of 343.39 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-quinolin-3-ylpropanamide is sourced from PubChem (CID 34031140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).