7-(4-bromophenyl)-4-(1-cyclopropylethylamino)cinnoline-3-carboxamide

C20H19BrN4O — CID 71060864

IUPAC7-(4-bromophenyl)-4-(1-cyclopropylethylamino)cinnoline-3-carboxamide
SMILESCC(Nc1c(C(N)=O)nnc2cc(-c3ccc(Br)cc3)ccc12)C1CC1
InChIInChI=1S/C20H19BrN4O/c1-11(12-2-3-12)23-18-16-9-6-14(13-4-7-15(21)8-5-13)10-17(16)24-25-19(18)20(22)26/h4-12H,2-3H2,1H3,(H2,22,26)(H,23,24)
InChIKeyYRXQNNRPUYAVOG-UHFFFAOYSA-N
MW411.30 g/mol
LogP4.37
Rot. Bonds5

About 7-(4-bromophenyl)-4-(1-cyclopropylethylamino)cinnoline-3-carboxamide

7-(4-bromophenyl)-4-(1-cyclopropylethylamino)cinnoline-3-carboxamide (PubChem CID 71060864) has the molecular formula C20H19BrN4O and a molecular weight of 411.30 g/mol. Its IUPAC name is 7-(4-bromophenyl)-4-(1-cyclopropylethylamino)cinnoline-3-carboxamide.

Molecular Properties

Compound Name7-(4-bromophenyl)-4-(1-cyclopropylethylamino)cinnoline-3-carboxamide
PubChem CID71060864
Molecular FormulaC20H19BrN4O
Molecular Weight411.30 g/mol
Exact Mass410.07
IUPAC Name7-(4-bromophenyl)-4-(1-cyclopropylethylamino)cinnoline-3-carboxamide
SMILESCC(Nc1c(C(N)=O)nnc2cc(-c3ccc(Br)cc3)ccc12)C1CC1
InChIInChI=1S/C20H19BrN4O/c1-11(12-2-3-12)23-18-16-9-6-14(13-4-7-15(21)8-5-13)10-17(16)24-25-19(18)20(22)26/h4-12H,2-3H2,1H3,(H2,22,26)(H,23,24)
InChIKeyYRXQNNRPUYAVOG-UHFFFAOYSA-N
XLogP4.37
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.30
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-bromophenyl)-4-(1-cyclopropylethylamino)cinnoline-3-carboxamide?
The IUPAC name of 7-(4-bromophenyl)-4-(1-cyclopropylethylamino)cinnoline-3-carboxamide (CID 71060864) is 7-(4-bromophenyl)-4-(1-cyclopropylethylamino)cinnoline-3-carboxamide.
What is the SMILES notation for 7-(4-bromophenyl)-4-(1-cyclopropylethylamino)cinnoline-3-carboxamide?
The canonical SMILES for 7-(4-bromophenyl)-4-(1-cyclopropylethylamino)cinnoline-3-carboxamide is CC(Nc1c(C(N)=O)nnc2cc(-c3ccc(Br)cc3)ccc12)C1CC1.
What is the InChIKey of 7-(4-bromophenyl)-4-(1-cyclopropylethylamino)cinnoline-3-carboxamide?
The InChIKey is YRXQNNRPUYAVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O/c1-11(12-2-3-12)23-18-16-9-6-14(13-4-7-15(21)8-5-13)10-17(16)24-25-19(18)20(22)26/h4-12H,2-3H2,1H3,(H2,22,26)(H,23,24).
What are the key properties of 7-(4-bromophenyl)-4-(1-cyclopropylethylamino)cinnoline-3-carboxamide?
7-(4-bromophenyl)-4-(1-cyclopropylethylamino)cinnoline-3-carboxamide has a molecular weight of 411.30 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromophenyl)-4-(1-cyclopropylethylamino)cinnoline-3-carboxamide is sourced from PubChem (CID 71060864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).