butane;4-chloro-2-[4-(3-cyclopropylpropyl)phenyl]-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline

C34H44ClN3 — CID 145292195

IUPACbutane;4-chloro-2-[4-(3-cyclopropylpropyl)phenyl]-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline
SMILESC=C(C)N1CCN(C(=C)c2ccc3c(Cl)cc(-c4ccc(CCCC5CC5)cc4)nc3c2)CC1.CCCC
InChIInChI=1S/C30H34ClN3.C4H10/c1-21(2)33-15-17-34(18-16-33)22(3)26-13-14-27-28(31)20-29(32-30(27)19-26)25-11-9-24(10-12-25)6-4-5-23-7-8-23;1-3-4-2/h9-14,19-20,23H,1,3-8,15-18H2,2H3;3-4H2,1-2H3
InChIKeyDAJQHIYLDWWAKK-UHFFFAOYSA-N
MW530.20 g/mol
LogP9.22
Rot. Bonds9

About butane;4-chloro-2-[4-(3-cyclopropylpropyl)phenyl]-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline

butane;4-chloro-2-[4-(3-cyclopropylpropyl)phenyl]-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline (PubChem CID 145292195) has the molecular formula C34H44ClN3 and a molecular weight of 530.20 g/mol. Its IUPAC name is butane;4-chloro-2-[4-(3-cyclopropylpropyl)phenyl]-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline.

Molecular Properties

Compound Namebutane;4-chloro-2-[4-(3-cyclopropylpropyl)phenyl]-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline
PubChem CID145292195
Molecular FormulaC34H44ClN3
Molecular Weight530.20 g/mol
Exact Mass529.32
IUPAC Namebutane;4-chloro-2-[4-(3-cyclopropylpropyl)phenyl]-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline
SMILESC=C(C)N1CCN(C(=C)c2ccc3c(Cl)cc(-c4ccc(CCCC5CC5)cc4)nc3c2)CC1.CCCC
InChIInChI=1S/C30H34ClN3.C4H10/c1-21(2)33-15-17-34(18-16-33)22(3)26-13-14-27-28(31)20-29(32-30(27)19-26)25-11-9-24(10-12-25)6-4-5-23-7-8-23;1-3-4-2/h9-14,19-20,23H,1,3-8,15-18H2,2H3;3-4H2,1-2H3
InChIKeyDAJQHIYLDWWAKK-UHFFFAOYSA-N
XLogP9.22
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.20
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze butane;4-chloro-2-[4-(3-cyclopropylpropyl)phenyl]-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline with MolForge

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Related Compounds

4-chloro-2-(4-piperidin-1-ylphenyl)-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline
CID 129028981
4-chloro-2-(3,5-difluoro-4-methylphenyl)-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline;propane
CID 145292891
4-chloro-7-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-2-(4-pyrazol-1-ylphenyl)quinoline
CID 129029356
2-[4-[4-chloro-7-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]quinolin-2-yl]phenyl]-N-methylpropan-1-amine
CID 145292235
4-chloro-2-(3,5-difluoro-4-methylphenyl)-7-[1-(4-pent-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline
CID 129029091
4-chloro-2-(1-methylindazol-6-yl)-7-[1-(4-pent-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline
CID 129029085
butane;4-chloro-2-[(3E)-2-methylhexa-1,3,5-trien-3-yl]-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline
CID 145292677
4-chloro-2-(1H-indazol-4-yl)-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline
CID 145292694
4-[4-chloro-2-[4-(ethoxymethyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylic acid
CID 126753972
9-chloro-6-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridin-4-amine
CID 145292875
propyl 4-[4-chloro-2-(4-nitrosophenyl)quinoline-7-carbonyl]piperazine-1-carboxylate
CID 145292717
N-(cyclopropylmethyl)-7-ethyl-2-[4-[3-(pentylamino)propyl]phenyl]quinolin-4-amine;N-methylprop-1-en-2-amine
CID 177173845

Frequently Asked Questions

What is the IUPAC name of butane;4-chloro-2-[4-(3-cyclopropylpropyl)phenyl]-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline?
The IUPAC name of butane;4-chloro-2-[4-(3-cyclopropylpropyl)phenyl]-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline (CID 145292195) is butane;4-chloro-2-[4-(3-cyclopropylpropyl)phenyl]-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline.
What is the SMILES notation for butane;4-chloro-2-[4-(3-cyclopropylpropyl)phenyl]-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline?
The canonical SMILES for butane;4-chloro-2-[4-(3-cyclopropylpropyl)phenyl]-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline is C=C(C)N1CCN(C(=C)c2ccc3c(Cl)cc(-c4ccc(CCCC5CC5)cc4)nc3c2)CC1.CCCC.
What is the InChIKey of butane;4-chloro-2-[4-(3-cyclopropylpropyl)phenyl]-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline?
The InChIKey is DAJQHIYLDWWAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN3.C4H10/c1-21(2)33-15-17-34(18-16-33)22(3)26-13-14-27-28(31)20-29(32-30(27)19-26)25-11-9-24(10-12-25)6-4-5-23-7-8-23;1-3-4-2/h9-14,19-20,23H,1,3-8,15-18H2,2H3;3-4H2,1-2H3.
What are the key properties of butane;4-chloro-2-[4-(3-cyclopropylpropyl)phenyl]-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline?
butane;4-chloro-2-[4-(3-cyclopropylpropyl)phenyl]-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline has a molecular weight of 530.20 g/mol, XLogP of 9.22, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane;4-chloro-2-[4-(3-cyclopropylpropyl)phenyl]-7-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]quinoline is sourced from PubChem (CID 145292195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).