[6-bromo-4-[(6-piperazin-1-yl-3-pyridinyl)amino]quinolin-3-yl]-cyclopropylmethanone

C22H22BrN5O — CID 66715701

IUPAC[6-bromo-4-[(6-piperazin-1-yl-3-pyridinyl)amino]quinolin-3-yl]-cyclopropylmethanone
SMILESO=C(c1cnc2ccc(Br)cc2c1Nc1ccc(N2CCNCC2)nc1)C1CC1
InChIInChI=1S/C22H22BrN5O/c23-15-3-5-19-17(11-15)21(18(13-25-19)22(29)14-1-2-14)27-16-4-6-20(26-12-16)28-9-7-24-8-10-28/h3-6,11-14,24H,1-2,7-10H2,(H,25,27)
InChIKeyIYVUXZDFRZXWHJ-UHFFFAOYSA-N
MW452.36 g/mol
LogP4.14
Rot. Bonds5

About [6-bromo-4-[(6-piperazin-1-yl-3-pyridinyl)amino]quinolin-3-yl]-cyclopropylmethanone

[6-bromo-4-[(6-piperazin-1-yl-3-pyridinyl)amino]quinolin-3-yl]-cyclopropylmethanone (PubChem CID 66715701) has the molecular formula C22H22BrN5O and a molecular weight of 452.36 g/mol. Its IUPAC name is [6-bromo-4-[(6-piperazin-1-yl-3-pyridinyl)amino]quinolin-3-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[6-bromo-4-[(6-piperazin-1-yl-3-pyridinyl)amino]quinolin-3-yl]-cyclopropylmethanone
PubChem CID66715701
Molecular FormulaC22H22BrN5O
Molecular Weight452.36 g/mol
Exact Mass451.10
IUPAC Name[6-bromo-4-[(6-piperazin-1-yl-3-pyridinyl)amino]quinolin-3-yl]-cyclopropylmethanone
SMILESO=C(c1cnc2ccc(Br)cc2c1Nc1ccc(N2CCNCC2)nc1)C1CC1
InChIInChI=1S/C22H22BrN5O/c23-15-3-5-19-17(11-15)21(18(13-25-19)22(29)14-1-2-14)27-16-4-6-20(26-12-16)28-9-7-24-8-10-28/h3-6,11-14,24H,1-2,7-10H2,(H,25,27)
InChIKeyIYVUXZDFRZXWHJ-UHFFFAOYSA-N
XLogP4.14
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.36
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [6-bromo-4-[(6-piperazin-1-yl-3-pyridinyl)amino]quinolin-3-yl]-cyclopropylmethanone with MolForge

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Launch Full Analysis

Related Compounds

[(3S)-1-[5-[(6-bromo-3-propanoylquinolin-4-yl)amino]-2-pyridinyl]piperidin-3-yl]carbamic acid
CID 141424383
2-[4-[[6-bromo-3-(cyclopropanecarbonyl)quinolin-4-yl]amino]phenyl]propan-2-ylcarbamic acid
CID 66715486
tert-butyl N-[2-[[5-[[6-bromo-3-(cyclopropanecarbonyl)quinolin-4-yl]amino]-2-pyridinyl]oxy]ethyl]carbamate
CID 66715668
[6-bromo-4-[3-(diethylaminomethyl)anilino]quinolin-3-yl]-cyclopropylmethanone
CID 123814929
[6-bromo-4-[[4-(pyrrolidin-1-ylmethyl)cyclohexyl]amino]quinolin-3-yl]-cyclopropylmethanone
CID 66716832
tert-butyl N-[5-[(6-bromo-3-propanoylquinolin-4-yl)amino]-2-pyridinyl]-N-pyrrolidin-3-ylcarbamate
CID 66715698
[6-bromo-4-[[4-[(3R)-3-fluoropyrrolidin-1-yl]cyclohexyl]amino]quinolin-3-yl]-cyclopropylmethanone
CID 86692887
[6-bromo-4-[(1-methylpiperidin-4-yl)-(1H-pyrazol-4-yl)amino]quinolin-3-yl]-cyclopropylmethanone
CID 123770582
[6-bromo-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]quinolin-3-yl]-cyclopropylmethanone
CID 66715679
6-bromo-4-chloro-2-(6-piperazin-1-yl-3-pyridinyl)quinoline
CID 177172662
1-[4-[[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]amino]-6-(3,5-dichloro-4-hydroxyphenyl)quinolin-3-yl]propan-1-one
CID 86692981
[4-(4-bromoanilino)-6-chloroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53001765

Frequently Asked Questions

What is the IUPAC name of [6-bromo-4-[(6-piperazin-1-yl-3-pyridinyl)amino]quinolin-3-yl]-cyclopropylmethanone?
The IUPAC name of [6-bromo-4-[(6-piperazin-1-yl-3-pyridinyl)amino]quinolin-3-yl]-cyclopropylmethanone (CID 66715701) is [6-bromo-4-[(6-piperazin-1-yl-3-pyridinyl)amino]quinolin-3-yl]-cyclopropylmethanone.
What is the SMILES notation for [6-bromo-4-[(6-piperazin-1-yl-3-pyridinyl)amino]quinolin-3-yl]-cyclopropylmethanone?
The canonical SMILES for [6-bromo-4-[(6-piperazin-1-yl-3-pyridinyl)amino]quinolin-3-yl]-cyclopropylmethanone is O=C(c1cnc2ccc(Br)cc2c1Nc1ccc(N2CCNCC2)nc1)C1CC1.
What is the InChIKey of [6-bromo-4-[(6-piperazin-1-yl-3-pyridinyl)amino]quinolin-3-yl]-cyclopropylmethanone?
The InChIKey is IYVUXZDFRZXWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrN5O/c23-15-3-5-19-17(11-15)21(18(13-25-19)22(29)14-1-2-14)27-16-4-6-20(26-12-16)28-9-7-24-8-10-28/h3-6,11-14,24H,1-2,7-10H2,(H,25,27).
What are the key properties of [6-bromo-4-[(6-piperazin-1-yl-3-pyridinyl)amino]quinolin-3-yl]-cyclopropylmethanone?
[6-bromo-4-[(6-piperazin-1-yl-3-pyridinyl)amino]quinolin-3-yl]-cyclopropylmethanone has a molecular weight of 452.36 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-4-[(6-piperazin-1-yl-3-pyridinyl)amino]quinolin-3-yl]-cyclopropylmethanone is sourced from PubChem (CID 66715701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).