(3R)-3-amino-1-[amino(isoquinolin-7-yl)methyl]pyrrolidin-2-one

C14H16N4O — CID 70071812

IUPAC(3R)-3-amino-1-[amino(isoquinolin-7-yl)methyl]pyrrolidin-2-one
SMILESNC(c1ccc2ccncc2c1)N1CC[C@@H](N)C1=O
InChIInChI=1S/C14H16N4O/c15-12-4-6-18(14(12)19)13(16)10-2-1-9-3-5-17-8-11(9)7-10/h1-3,5,7-8,12-13H,4,6,15-16H2/t12-,13?/m1/s1
InChIKeyLVDDYUNQQMLFKP-PZORYLMUSA-N
MW256.31 g/mol
LogP0.75
Rot. Bonds2

About (3R)-3-amino-1-[amino(isoquinolin-7-yl)methyl]pyrrolidin-2-one

(3R)-3-amino-1-[amino(isoquinolin-7-yl)methyl]pyrrolidin-2-one (PubChem CID 70071812) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is (3R)-3-amino-1-[amino(isoquinolin-7-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-amino-1-[amino(isoquinolin-7-yl)methyl]pyrrolidin-2-one
PubChem CID70071812
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name(3R)-3-amino-1-[amino(isoquinolin-7-yl)methyl]pyrrolidin-2-one
SMILESNC(c1ccc2ccncc2c1)N1CC[C@@H](N)C1=O
InChIInChI=1S/C14H16N4O/c15-12-4-6-18(14(12)19)13(16)10-2-1-9-3-5-17-8-11(9)7-10/h1-3,5,7-8,12-13H,4,6,15-16H2/t12-,13?/m1/s1
InChIKeyLVDDYUNQQMLFKP-PZORYLMUSA-N
XLogP0.75
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

chloro(isoquinolin-7-yl)methanol
CID 174413098
[(3R)-3-[amino(isoquinolin-7-yl)methyl]-1-carbamoyl-2-oxopyrrolidin-3-yl] 2,2,2-trifluoroacetate
CID 70069470
isoquinoline-7-carboxylic acid
CID 18468721
1-isoquinolin-6-yl-N-[(1-pentan-3-ylpyrrolidin-3-yl)methyl]ethanamine
CID 143705375
1-[isoquinolin-6-yl(thiophen-2-yl)methyl]piperidine-3-carboxylic acid
CID 3560605
1-isoquinolin-6-ylsulfonylpyrrolidin-3-amine;dihydrochloride
CID 66727171
(3S)-3-amino-1-[(3-hydroxyphenyl)-phenylmethyl]pyrrolidin-2-one
CID 59905959
1-isoquinolin-7-yl-3-piperidin-1-ylpropan-1-one
CID 58514088
2-isoquinolin-6-ylpropanamide
CID 66599621
N-pyrrolidin-3-ylisoquinoline-7-carboxamide
CID 18337236
cis-(1R,2S)-2-fluoro-N-(1-isoquinolin-6-ylethyl)cyclobutan-1-amine
CID 167838795
1-[isoquinolin-6-yl-(4-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3534185

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-[amino(isoquinolin-7-yl)methyl]pyrrolidin-2-one?
The IUPAC name of (3R)-3-amino-1-[amino(isoquinolin-7-yl)methyl]pyrrolidin-2-one (CID 70071812) is (3R)-3-amino-1-[amino(isoquinolin-7-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-amino-1-[amino(isoquinolin-7-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for (3R)-3-amino-1-[amino(isoquinolin-7-yl)methyl]pyrrolidin-2-one is NC(c1ccc2ccncc2c1)N1CC[C@@H](N)C1=O.
What is the InChIKey of (3R)-3-amino-1-[amino(isoquinolin-7-yl)methyl]pyrrolidin-2-one?
The InChIKey is LVDDYUNQQMLFKP-PZORYLMUSA-N. The full InChI is InChI=1S/C14H16N4O/c15-12-4-6-18(14(12)19)13(16)10-2-1-9-3-5-17-8-11(9)7-10/h1-3,5,7-8,12-13H,4,6,15-16H2/t12-,13?/m1/s1.
What are the key properties of (3R)-3-amino-1-[amino(isoquinolin-7-yl)methyl]pyrrolidin-2-one?
(3R)-3-amino-1-[amino(isoquinolin-7-yl)methyl]pyrrolidin-2-one has a molecular weight of 256.31 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-[amino(isoquinolin-7-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 70071812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).