1-amino-N-[2-(dimethylamino)ethyl]-N-methylisoquinoline-4-carboxamide

C15H20N4O — CID 106771901

IUPAC1-amino-N-[2-(dimethylamino)ethyl]-N-methylisoquinoline-4-carboxamide
SMILESCN(C)CCN(C)C(=O)c1cnc(N)c2ccccc12
InChIInChI=1S/C15H20N4O/c1-18(2)8-9-19(3)15(20)13-10-17-14(16)12-7-5-4-6-11(12)13/h4-7,10H,8-9H2,1-3H3,(H2,16,17)
InChIKeyXDZPLZSYGKGYCT-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.45
Rot. Bonds4

About 1-amino-N-[2-(dimethylamino)ethyl]-N-methylisoquinoline-4-carboxamide

1-amino-N-[2-(dimethylamino)ethyl]-N-methylisoquinoline-4-carboxamide (PubChem CID 106771901) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-amino-N-[2-(dimethylamino)ethyl]-N-methylisoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(dimethylamino)ethyl]-N-methylisoquinoline-4-carboxamide
PubChem CID106771901
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-amino-N-[2-(dimethylamino)ethyl]-N-methylisoquinoline-4-carboxamide
SMILESCN(C)CCN(C)C(=O)c1cnc(N)c2ccccc12
InChIInChI=1S/C15H20N4O/c1-18(2)8-9-19(3)15(20)13-10-17-14(16)12-7-5-4-6-11(12)13/h4-7,10H,8-9H2,1-3H3,(H2,16,17)
InChIKeyXDZPLZSYGKGYCT-UHFFFAOYSA-N
XLogP1.45
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-ethyl-N-(3-hydroxypropyl)isoquinoline-4-carboxamide
CID 106772800
1-amino-N-propan-2-yl-N-propylisoquinoline-4-carboxamide
CID 106770496
N-[2-(dimethylamino)ethyl]-N-methylnaphthalene-1-carboxamide
CID 110483893
2-amino-N-[2-(dimethylamino)ethyl]-N-methylquinoline-4-carboxamide
CID 63727745
1-amino-N-(3-hydroxypropyl)-N-propan-2-ylisoquinoline-4-carboxamide
CID 106771545
1-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)isoquinoline-4-carboxamide
CID 106772798
1-amino-N-(2-methoxyethyl)isoquinoline-4-carboxamide
CID 106770080
N-(2-methoxyethyl)-N-methyl-1-(methylamino)isoquinoline-4-carboxamide
CID 106771439
1-chloro-N,N-diethylisoquinoline-4-carboxamide
CID 106765835
1-amino-N-(2-ethoxyethyl)isoquinoline-4-carboxamide
CID 106769712
1-amino-N-(2-methylsulfanylpropyl)isoquinoline-4-carboxamide
CID 106772784
1-amino-N-(cyclopropylmethyl)isoquinoline-4-carboxamide
CID 106770157

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(dimethylamino)ethyl]-N-methylisoquinoline-4-carboxamide?
The IUPAC name of 1-amino-N-[2-(dimethylamino)ethyl]-N-methylisoquinoline-4-carboxamide (CID 106771901) is 1-amino-N-[2-(dimethylamino)ethyl]-N-methylisoquinoline-4-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(dimethylamino)ethyl]-N-methylisoquinoline-4-carboxamide?
The canonical SMILES for 1-amino-N-[2-(dimethylamino)ethyl]-N-methylisoquinoline-4-carboxamide is CN(C)CCN(C)C(=O)c1cnc(N)c2ccccc12.
What is the InChIKey of 1-amino-N-[2-(dimethylamino)ethyl]-N-methylisoquinoline-4-carboxamide?
The InChIKey is XDZPLZSYGKGYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-18(2)8-9-19(3)15(20)13-10-17-14(16)12-7-5-4-6-11(12)13/h4-7,10H,8-9H2,1-3H3,(H2,16,17).
What are the key properties of 1-amino-N-[2-(dimethylamino)ethyl]-N-methylisoquinoline-4-carboxamide?
1-amino-N-[2-(dimethylamino)ethyl]-N-methylisoquinoline-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(dimethylamino)ethyl]-N-methylisoquinoline-4-carboxamide is sourced from PubChem (CID 106771901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).