4-[[(1R)-1-cyclopropylethyl]amino]-7-[4-(dimethylcarbamoyl)-2-methoxyphenyl]cinnoline-3-carboxamide

C24H27N5O3 — CID 71061021

IUPAC4-[[(1R)-1-cyclopropylethyl]amino]-7-[4-(dimethylcarbamoyl)-2-methoxyphenyl]cinnoline-3-carboxamide
SMILESCOc1cc(C(=O)N(C)C)ccc1-c1ccc2c(N[C@H](C)C3CC3)c(C(N)=O)nnc2c1
InChIInChI=1S/C24H27N5O3/c1-13(14-5-6-14)26-21-18-10-7-15(11-19(18)27-28-22(21)23(25)30)17-9-8-16(12-20(17)32-4)24(31)29(2)3/h7-14H,5-6H2,1-4H3,(H2,25,30)(H,26,27)/t13-/m1/s1
InChIKeyKNQOHYJWOWXBBS-CYBMUJFWSA-N
MW433.51 g/mol
LogP3.32
Rot. Bonds7

About 4-[[(1R)-1-cyclopropylethyl]amino]-7-[4-(dimethylcarbamoyl)-2-methoxyphenyl]cinnoline-3-carboxamide

4-[[(1R)-1-cyclopropylethyl]amino]-7-[4-(dimethylcarbamoyl)-2-methoxyphenyl]cinnoline-3-carboxamide (PubChem CID 71061021) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 4-[[(1R)-1-cyclopropylethyl]amino]-7-[4-(dimethylcarbamoyl)-2-methoxyphenyl]cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-[[(1R)-1-cyclopropylethyl]amino]-7-[4-(dimethylcarbamoyl)-2-methoxyphenyl]cinnoline-3-carboxamide
PubChem CID71061021
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name4-[[(1R)-1-cyclopropylethyl]amino]-7-[4-(dimethylcarbamoyl)-2-methoxyphenyl]cinnoline-3-carboxamide
SMILESCOc1cc(C(=O)N(C)C)ccc1-c1ccc2c(N[C@H](C)C3CC3)c(C(N)=O)nnc2c1
InChIInChI=1S/C24H27N5O3/c1-13(14-5-6-14)26-21-18-10-7-15(11-19(18)27-28-22(21)23(25)30)17-9-8-16(12-20(17)32-4)24(31)29(2)3/h7-14H,5-6H2,1-4H3,(H2,25,30)(H,26,27)/t13-/m1/s1
InChIKeyKNQOHYJWOWXBBS-CYBMUJFWSA-N
XLogP3.32
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-(4-bromophenyl)-4-(1-cyclopropylethylamino)cinnoline-3-carboxamide
CID 71060864
4-(1-cyclopropylethylamino)-7-(2-methylsulfonylphenyl)cinnoline-3-carboxamide
CID 118413318
7-(5-bromo-2-methoxyphenyl)-4-[[(1R)-1-cyclopropylethyl]amino]cinnoline-3-carboxamide;4-[[(1R)-1-cyclopropylethyl]amino]-7-[2-methoxy-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide;1,3-oxazolidin-2-one
CID 159845808
4-(1-cyclopropylethylamino)-N-methyl-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide
CID 78157786
4-[4-[[(1R)-1-cyclopropylethyl]amino]-3-(dimethylcarbamoyl)phenyl]cinnoline-3-carboxamide
CID 142719076
4-[cyclopropyl(ethyl)amino]-7-(2-methoxyphenyl)cinnoline-3-carboxamide
CID 71061066
4-[[(1R)-1-cyclopropylethyl]amino]-7-[2-methoxy-5-[2-methoxy-4-(3-oxomorpholin-4-yl)phenyl]phenyl]cinnoline-3-carbonitrile
CID 118413319
3-(1-cyclopentylethylamino)-4-methoxybenzamide
CID 62632996
tert-butyl N-[3-[[5-[3-carbamoyl-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]cinnolin-6-yl]-2-pyridinyl]oxy]propyl]-N-methylcarbamate
CID 138504502
4-(1-cyclopropylethylamino)-7-(4-methylsulfonylphenyl)cinnoline-3-carbonitrile
CID 78135962
3-[[3-carbamoyl-7-(2-methoxyphenyl)quinolin-4-yl]amino]benzoic acid
CID 57334340
3-methoxy-N,N-dimethyl-4-(2-methylphenyl)benzamide
CID 144693423

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-cyclopropylethyl]amino]-7-[4-(dimethylcarbamoyl)-2-methoxyphenyl]cinnoline-3-carboxamide?
The IUPAC name of 4-[[(1R)-1-cyclopropylethyl]amino]-7-[4-(dimethylcarbamoyl)-2-methoxyphenyl]cinnoline-3-carboxamide (CID 71061021) is 4-[[(1R)-1-cyclopropylethyl]amino]-7-[4-(dimethylcarbamoyl)-2-methoxyphenyl]cinnoline-3-carboxamide.
What is the SMILES notation for 4-[[(1R)-1-cyclopropylethyl]amino]-7-[4-(dimethylcarbamoyl)-2-methoxyphenyl]cinnoline-3-carboxamide?
The canonical SMILES for 4-[[(1R)-1-cyclopropylethyl]amino]-7-[4-(dimethylcarbamoyl)-2-methoxyphenyl]cinnoline-3-carboxamide is COc1cc(C(=O)N(C)C)ccc1-c1ccc2c(N[C@H](C)C3CC3)c(C(N)=O)nnc2c1.
What is the InChIKey of 4-[[(1R)-1-cyclopropylethyl]amino]-7-[4-(dimethylcarbamoyl)-2-methoxyphenyl]cinnoline-3-carboxamide?
The InChIKey is KNQOHYJWOWXBBS-CYBMUJFWSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-13(14-5-6-14)26-21-18-10-7-15(11-19(18)27-28-22(21)23(25)30)17-9-8-16(12-20(17)32-4)24(31)29(2)3/h7-14H,5-6H2,1-4H3,(H2,25,30)(H,26,27)/t13-/m1/s1.
What are the key properties of 4-[[(1R)-1-cyclopropylethyl]amino]-7-[4-(dimethylcarbamoyl)-2-methoxyphenyl]cinnoline-3-carboxamide?
4-[[(1R)-1-cyclopropylethyl]amino]-7-[4-(dimethylcarbamoyl)-2-methoxyphenyl]cinnoline-3-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-cyclopropylethyl]amino]-7-[4-(dimethylcarbamoyl)-2-methoxyphenyl]cinnoline-3-carboxamide is sourced from PubChem (CID 71061021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).