N-isoquinolin-6-ylformamide;2-phenylpropan-1-amine

C19H21N3O — CID 155582866

IUPACN-isoquinolin-6-ylformamide;2-phenylpropan-1-amine
SMILESCC(CN)c1ccccc1.O=CNc1ccc2cnccc2c1
InChIInChI=1S/C10H8N2O.C9H13N/c13-7-12-10-2-1-9-6-11-4-3-8(9)5-10;1-8(7-10)9-5-3-2-4-6-9/h1-7H,(H,12,13);2-6,8H,7,10H2,1H3
InChIKeyQGUNDBBUNMQYRY-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.55
Rot. Bonds4

About N-isoquinolin-6-ylformamide;2-phenylpropan-1-amine

N-isoquinolin-6-ylformamide;2-phenylpropan-1-amine (PubChem CID 155582866) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-isoquinolin-6-ylformamide;2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-isoquinolin-6-ylformamide;2-phenylpropan-1-amine
PubChem CID155582866
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-isoquinolin-6-ylformamide;2-phenylpropan-1-amine
SMILESCC(CN)c1ccccc1.O=CNc1ccc2cnccc2c1
InChIInChI=1S/C10H8N2O.C9H13N/c13-7-12-10-2-1-9-6-11-4-3-8(9)5-10;1-8(7-10)9-5-3-2-4-6-9/h1-7H,(H,12,13);2-6,8H,7,10H2,1H3
InChIKeyQGUNDBBUNMQYRY-UHFFFAOYSA-N
XLogP3.55
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-isoquinolin-6-ylpropan-1-amine
CID 117280533
N-[4-(1-aminopropan-2-yl)phenyl]formamide
CID 178094530
3-amino-N-isoquinolin-6-yl-2-phenylpropanamide;N-isoquinolin-6-yl-2-phenyl-3-(propan-2-ylamino)propanamide;propan-2-one
CID 157431706
3-isoquinolin-6-yl-2-phenyl-3-(propan-2-ylamino)propanamide
CID 91099751
3-amino-N-isoquinolin-6-ylpropanamide;ethane
CID 153349000
[3-[3-amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]phenyl] benzoate
CID 59563763
3-amino-N-isoquinolin-6-yl-2-(4-phenylmethoxyphenyl)propanamide
CID 127030602
2-(N,2-dimethylanilino)-N-isoquinolin-6-yl-2-phenylacetamide;dihydrochloride
CID 89370765
(2R)-3-amino-2-(4-chlorophenyl)-N-isoquinolin-6-ylpropanamide
CID 86270792
(2R)-2-amino-N-isoquinolin-7-ylpropanamide
CID 143835727
N-isoquinolin-6-yl-3-phenylpropanamide
CID 24999503
hydron;N-(1,6-naphthyridin-3-yl)formamide
CID 174959508

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-6-ylformamide;2-phenylpropan-1-amine?
The IUPAC name of N-isoquinolin-6-ylformamide;2-phenylpropan-1-amine (CID 155582866) is N-isoquinolin-6-ylformamide;2-phenylpropan-1-amine.
What is the SMILES notation for N-isoquinolin-6-ylformamide;2-phenylpropan-1-amine?
The canonical SMILES for N-isoquinolin-6-ylformamide;2-phenylpropan-1-amine is CC(CN)c1ccccc1.O=CNc1ccc2cnccc2c1.
What is the InChIKey of N-isoquinolin-6-ylformamide;2-phenylpropan-1-amine?
The InChIKey is QGUNDBBUNMQYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O.C9H13N/c13-7-12-10-2-1-9-6-11-4-3-8(9)5-10;1-8(7-10)9-5-3-2-4-6-9/h1-7H,(H,12,13);2-6,8H,7,10H2,1H3.
What are the key properties of N-isoquinolin-6-ylformamide;2-phenylpropan-1-amine?
N-isoquinolin-6-ylformamide;2-phenylpropan-1-amine has a molecular weight of 307.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-6-ylformamide;2-phenylpropan-1-amine is sourced from PubChem (CID 155582866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).