4-amino-7-[4-(dimethylamino)phenyl]cinnoline-3-carboxamide

C17H17N5O — CID 71061316

IUPAC4-amino-7-[4-(dimethylamino)phenyl]cinnoline-3-carboxamide
SMILESCN(C)c1ccc(-c2ccc3c(N)c(C(N)=O)nnc3c2)cc1
InChIInChI=1S/C17H17N5O/c1-22(2)12-6-3-10(4-7-12)11-5-8-13-14(9-11)20-21-16(15(13)18)17(19)23/h3-9H,1-2H3,(H2,18,20)(H2,19,23)
InChIKeyGACNGVYWIMQRQF-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.04
Rot. Bonds3

About 4-amino-7-[4-(dimethylamino)phenyl]cinnoline-3-carboxamide

4-amino-7-[4-(dimethylamino)phenyl]cinnoline-3-carboxamide (PubChem CID 71061316) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 4-amino-7-[4-(dimethylamino)phenyl]cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-7-[4-(dimethylamino)phenyl]cinnoline-3-carboxamide
PubChem CID71061316
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name4-amino-7-[4-(dimethylamino)phenyl]cinnoline-3-carboxamide
SMILESCN(C)c1ccc(-c2ccc3c(N)c(C(N)=O)nnc3c2)cc1
InChIInChI=1S/C17H17N5O/c1-22(2)12-6-3-10(4-7-12)11-5-8-13-14(9-11)20-21-16(15(13)18)17(19)23/h3-9H,1-2H3,(H2,18,20)(H2,19,23)
InChIKeyGACNGVYWIMQRQF-UHFFFAOYSA-N
XLogP2.04
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-[4-(dimethylamino)phenyl]cinnoline-3-carboxamide?
The IUPAC name of 4-amino-7-[4-(dimethylamino)phenyl]cinnoline-3-carboxamide (CID 71061316) is 4-amino-7-[4-(dimethylamino)phenyl]cinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-7-[4-(dimethylamino)phenyl]cinnoline-3-carboxamide?
The canonical SMILES for 4-amino-7-[4-(dimethylamino)phenyl]cinnoline-3-carboxamide is CN(C)c1ccc(-c2ccc3c(N)c(C(N)=O)nnc3c2)cc1.
What is the InChIKey of 4-amino-7-[4-(dimethylamino)phenyl]cinnoline-3-carboxamide?
The InChIKey is GACNGVYWIMQRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-22(2)12-6-3-10(4-7-12)11-5-8-13-14(9-11)20-21-16(15(13)18)17(19)23/h3-9H,1-2H3,(H2,18,20)(H2,19,23).
What are the key properties of 4-amino-7-[4-(dimethylamino)phenyl]cinnoline-3-carboxamide?
4-amino-7-[4-(dimethylamino)phenyl]cinnoline-3-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-[4-(dimethylamino)phenyl]cinnoline-3-carboxamide is sourced from PubChem (CID 71061316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).