4-(2-cyclopropylethylamino)-7-isoquinolin-4-ylcinnoline-3-carboxamide

C23H21N5O — CID 71061281

IUPAC4-(2-cyclopropylethylamino)-7-isoquinolin-4-ylcinnoline-3-carboxamide
SMILESNC(=O)c1nnc2cc(-c3cncc4ccccc34)ccc2c1NCCC1CC1
InChIInChI=1S/C23H21N5O/c24-23(29)22-21(26-10-9-14-5-6-14)18-8-7-15(11-20(18)27-28-22)19-13-25-12-16-3-1-2-4-17(16)19/h1-4,7-8,11-14H,5-6,9-10H2,(H2,24,29)(H,26,27)
InChIKeyYTRKFIHDXGJOFR-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.16
Rot. Bonds6

About 4-(2-cyclopropylethylamino)-7-isoquinolin-4-ylcinnoline-3-carboxamide

4-(2-cyclopropylethylamino)-7-isoquinolin-4-ylcinnoline-3-carboxamide (PubChem CID 71061281) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 4-(2-cyclopropylethylamino)-7-isoquinolin-4-ylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-(2-cyclopropylethylamino)-7-isoquinolin-4-ylcinnoline-3-carboxamide
PubChem CID71061281
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name4-(2-cyclopropylethylamino)-7-isoquinolin-4-ylcinnoline-3-carboxamide
SMILESNC(=O)c1nnc2cc(-c3cncc4ccccc34)ccc2c1NCCC1CC1
InChIInChI=1S/C23H21N5O/c24-23(29)22-21(26-10-9-14-5-6-14)18-8-7-15(11-20(18)27-28-22)19-13-25-12-16-3-1-2-4-17(16)19/h1-4,7-8,11-14H,5-6,9-10H2,(H2,24,29)(H,26,27)
InChIKeyYTRKFIHDXGJOFR-UHFFFAOYSA-N
XLogP4.16
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylethylamino)-7-isoquinolin-4-ylcinnoline-3-carboxamide?
The IUPAC name of 4-(2-cyclopropylethylamino)-7-isoquinolin-4-ylcinnoline-3-carboxamide (CID 71061281) is 4-(2-cyclopropylethylamino)-7-isoquinolin-4-ylcinnoline-3-carboxamide.
What is the SMILES notation for 4-(2-cyclopropylethylamino)-7-isoquinolin-4-ylcinnoline-3-carboxamide?
The canonical SMILES for 4-(2-cyclopropylethylamino)-7-isoquinolin-4-ylcinnoline-3-carboxamide is NC(=O)c1nnc2cc(-c3cncc4ccccc34)ccc2c1NCCC1CC1.
What is the InChIKey of 4-(2-cyclopropylethylamino)-7-isoquinolin-4-ylcinnoline-3-carboxamide?
The InChIKey is YTRKFIHDXGJOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c24-23(29)22-21(26-10-9-14-5-6-14)18-8-7-15(11-20(18)27-28-22)19-13-25-12-16-3-1-2-4-17(16)19/h1-4,7-8,11-14H,5-6,9-10H2,(H2,24,29)(H,26,27).
What are the key properties of 4-(2-cyclopropylethylamino)-7-isoquinolin-4-ylcinnoline-3-carboxamide?
4-(2-cyclopropylethylamino)-7-isoquinolin-4-ylcinnoline-3-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylethylamino)-7-isoquinolin-4-ylcinnoline-3-carboxamide is sourced from PubChem (CID 71061281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).