4-methyl-1-[(3R)-3-(quinolin-4-ylamino)pyrrolidin-1-yl]pent-2-en-1-one

C19H23N3O — CID 123303956

IUPAC4-methyl-1-[(3R)-3-(quinolin-4-ylamino)pyrrolidin-1-yl]pent-2-en-1-one
SMILESCC(C)C=CC(=O)N1CC[C@@H](Nc2ccnc3ccccc23)C1
InChIInChI=1S/C19H23N3O/c1-14(2)7-8-19(23)22-12-10-15(13-22)21-18-9-11-20-17-6-4-3-5-16(17)18/h3-9,11,14-15H,10,12-13H2,1-2H3,(H,20,21)/t15-/m1/s1
InChIKeyWMGVHADARTZDEV-OAHLLOKOSA-N
MW309.41 g/mol
LogP3.46
Rot. Bonds4

About 4-methyl-1-[(3R)-3-(quinolin-4-ylamino)pyrrolidin-1-yl]pent-2-en-1-one

4-methyl-1-[(3R)-3-(quinolin-4-ylamino)pyrrolidin-1-yl]pent-2-en-1-one (PubChem CID 123303956) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-methyl-1-[(3R)-3-(quinolin-4-ylamino)pyrrolidin-1-yl]pent-2-en-1-one.

Molecular Properties

Compound Name4-methyl-1-[(3R)-3-(quinolin-4-ylamino)pyrrolidin-1-yl]pent-2-en-1-one
PubChem CID123303956
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name4-methyl-1-[(3R)-3-(quinolin-4-ylamino)pyrrolidin-1-yl]pent-2-en-1-one
SMILESCC(C)C=CC(=O)N1CC[C@@H](Nc2ccnc3ccccc23)C1
InChIInChI=1S/C19H23N3O/c1-14(2)7-8-19(23)22-12-10-15(13-22)21-18-9-11-20-17-6-4-3-5-16(17)18/h3-9,11,14-15H,10,12-13H2,1-2H3,(H,20,21)/t15-/m1/s1
InChIKeyWMGVHADARTZDEV-OAHLLOKOSA-N
XLogP3.46
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-methyl-1-[(3R)-3-(quinolin-4-ylamino)pyrrolidin-1-yl]pent-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (3S)-3-(quinolin-5-ylamino)pyrrolidine-1-carboxylate
CID 156685077
N-[1-(methylsulfanylmethyl)piperidin-4-yl]quinolin-4-amine
CID 123272083
N-(1-methylpyrrolidin-3-yl)quinolin-5-amine
CID 62975948
cis-(1R,3S)-3-(quinolin-4-ylamino)cyclopentane-1-carboxylic acid
CID 106322010
3-(quinolin-4-ylamino)cyclohexane-1-carboxylic acid
CID 63041878
tert-butyl 3-[(6-fluoroquinolin-4-yl)amino]pyrrolidine-1-carboxylate
CID 175301027
cyclohexyl-[3-[(6,7-dimethoxyquinolin-4-yl)amino]pyrrolidin-1-yl]methanone
CID 166237055
N-(1-oxothian-4-yl)quinolin-4-amine
CID 113480106
(E)-1-[4-(dimethylamino)piperidin-1-yl]-3-quinolin-4-ylprop-2-en-1-one
CID 75407554
(Z)-1-[(3R)-3-anilinopyrrolidin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one
CID 98499166
cyclopentyl-[3-[(2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone
CID 133366806
2-methyl-1-[4-(quinazolin-4-ylamino)piperidin-1-yl]propan-1-one
CID 39165581

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(3R)-3-(quinolin-4-ylamino)pyrrolidin-1-yl]pent-2-en-1-one?
The IUPAC name of 4-methyl-1-[(3R)-3-(quinolin-4-ylamino)pyrrolidin-1-yl]pent-2-en-1-one (CID 123303956) is 4-methyl-1-[(3R)-3-(quinolin-4-ylamino)pyrrolidin-1-yl]pent-2-en-1-one.
What is the SMILES notation for 4-methyl-1-[(3R)-3-(quinolin-4-ylamino)pyrrolidin-1-yl]pent-2-en-1-one?
The canonical SMILES for 4-methyl-1-[(3R)-3-(quinolin-4-ylamino)pyrrolidin-1-yl]pent-2-en-1-one is CC(C)C=CC(=O)N1CC[C@@H](Nc2ccnc3ccccc23)C1.
What is the InChIKey of 4-methyl-1-[(3R)-3-(quinolin-4-ylamino)pyrrolidin-1-yl]pent-2-en-1-one?
The InChIKey is WMGVHADARTZDEV-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14(2)7-8-19(23)22-12-10-15(13-22)21-18-9-11-20-17-6-4-3-5-16(17)18/h3-9,11,14-15H,10,12-13H2,1-2H3,(H,20,21)/t15-/m1/s1.
What are the key properties of 4-methyl-1-[(3R)-3-(quinolin-4-ylamino)pyrrolidin-1-yl]pent-2-en-1-one?
4-methyl-1-[(3R)-3-(quinolin-4-ylamino)pyrrolidin-1-yl]pent-2-en-1-one has a molecular weight of 309.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(3R)-3-(quinolin-4-ylamino)pyrrolidin-1-yl]pent-2-en-1-one is sourced from PubChem (CID 123303956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).