(Z)-N-[2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]ethyl]-1-(8-methylquinolin-6-yl)prop-1-en-1-amine;ethane;N-(2-fluoro-2-methylpropyl)formamide;methane;methylcyclopropane

C43H62F2N4O — CID 165395709

IUPAC(Z)-N-[2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]ethyl]-1-(8-methylquinolin-6-yl)prop-1-en-1-amine;ethane;N-(2-fluoro-2-methylpropyl)formamide;methane;methylcyclopropane
SMILESC.C/C=C(\NCCc1cc(C(C)CC)c(C)c(-c2ccc(F)cc2)n1)c1cc(C)c2ncccc2c1.CC.CC(C)(F)CNC=O.CC1CC1
InChIInChI=1S/C31H34FN3.C5H10FNO.C4H8.C2H6.CH4/c1-6-20(3)28-19-27(35-31(22(28)5)23-10-12-26(32)13-11-23)14-16-33-29(7-2)25-17-21(4)30-24(18-25)9-8-15-34-30;1-5(2,6)3-7-4-8;1-4-2-3-4;1-2;/h7-13,15,17-20,33H,6,14,16H2,1-5H3;4H,3H2,1-2H3,(H,7,8);4H,2-3H2,1H3;1-2H3;1H4/b29-7-;;;;
InChIKeySWZKXSVGSJZMHJ-NZIQBLEMSA-N
MW688.99 g/mol
LogP11.32
Rot. Bonds11

About (Z)-N-[2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]ethyl]-1-(8-methylquinolin-6-yl)prop-1-en-1-amine;ethane;N-(2-fluoro-2-methylpropyl)formamide;methane;methylcyclopropane

(Z)-N-[2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]ethyl]-1-(8-methylquinolin-6-yl)prop-1-en-1-amine;ethane;N-(2-fluoro-2-methylpropyl)formamide;methane;methylcyclopropane (PubChem CID 165395709) has the molecular formula C43H62F2N4O and a molecular weight of 688.99 g/mol. Its IUPAC name is (Z)-N-[2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]ethyl]-1-(8-methylquinolin-6-yl)prop-1-en-1-amine;ethane;N-(2-fluoro-2-methylpropyl)formamide;methane;methylcyclopropane.

Molecular Properties

Compound Name(Z)-N-[2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]ethyl]-1-(8-methylquinolin-6-yl)prop-1-en-1-amine;ethane;N-(2-fluoro-2-methylpropyl)formamide;methane;methylcyclopropane
PubChem CID165395709
Molecular FormulaC43H62F2N4O
Molecular Weight688.99 g/mol
Exact Mass688.49
IUPAC Name(Z)-N-[2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]ethyl]-1-(8-methylquinolin-6-yl)prop-1-en-1-amine;ethane;N-(2-fluoro-2-methylpropyl)formamide;methane;methylcyclopropane
SMILESC.C/C=C(\NCCc1cc(C(C)CC)c(C)c(-c2ccc(F)cc2)n1)c1cc(C)c2ncccc2c1.CC.CC(C)(F)CNC=O.CC1CC1
InChIInChI=1S/C31H34FN3.C5H10FNO.C4H8.C2H6.CH4/c1-6-20(3)28-19-27(35-31(22(28)5)23-10-12-26(32)13-11-23)14-16-33-29(7-2)25-17-21(4)30-24(18-25)9-8-15-34-30;1-5(2,6)3-7-4-8;1-4-2-3-4;1-2;/h7-13,15,17-20,33H,6,14,16H2,1-5H3;4H,3H2,1-2H3,(H,7,8);4H,2-3H2,1H3;1-2H3;1H4/b29-7-;;;;
InChIKeySWZKXSVGSJZMHJ-NZIQBLEMSA-N
XLogP11.32
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.99
LogP ≤ 511.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (Z)-N-[2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]ethyl]-1-(8-methylquinolin-6-yl)prop-1-en-1-amine;ethane;N-(2-fluoro-2-methylpropyl)formamide;methane;methylcyclopropane with MolForge

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Launch Full Analysis

Related Compounds

QL-Xii-03
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N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]pyridin-4-amine dihydrochloride
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N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]pyridin-4-amine dihydrochloride
CID 10598017
N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]pyridin-4-amine dihydrochloride
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N-[12-(1,2,3,4-tetrahydroacridin-9-ylamino)dodecyl]pyridin-4-amine dihydrochloride
CID 10623776
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CID 9818071
(R)-N-(6-(3-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-3-oxoprop-1-enyl)quinolin-7-yl)acetamide
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1-(2,4-Difluoro-phenyl)-3-(6-methyl-4-o-tolyl-quinolin-3-yl)-urea
CID 10092558
6-(4-fluorophenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)quinolin-4-amine
CID 11517184
4-(4-fluorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide
CID 18435984
3-Methyl-1-(6-pyridin-4-ylquinolin-2-yl)butan-1-amine
CID 118279642

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]ethyl]-1-(8-methylquinolin-6-yl)prop-1-en-1-amine;ethane;N-(2-fluoro-2-methylpropyl)formamide;methane;methylcyclopropane?
The IUPAC name of (Z)-N-[2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]ethyl]-1-(8-methylquinolin-6-yl)prop-1-en-1-amine;ethane;N-(2-fluoro-2-methylpropyl)formamide;methane;methylcyclopropane (CID 165395709) is (Z)-N-[2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]ethyl]-1-(8-methylquinolin-6-yl)prop-1-en-1-amine;ethane;N-(2-fluoro-2-methylpropyl)formamide;methane;methylcyclopropane.
What is the SMILES notation for (Z)-N-[2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]ethyl]-1-(8-methylquinolin-6-yl)prop-1-en-1-amine;ethane;N-(2-fluoro-2-methylpropyl)formamide;methane;methylcyclopropane?
The canonical SMILES for (Z)-N-[2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]ethyl]-1-(8-methylquinolin-6-yl)prop-1-en-1-amine;ethane;N-(2-fluoro-2-methylpropyl)formamide;methane;methylcyclopropane is C.C/C=C(\NCCc1cc(C(C)CC)c(C)c(-c2ccc(F)cc2)n1)c1cc(C)c2ncccc2c1.CC.CC(C)(F)CNC=O.CC1CC1.
What is the InChIKey of (Z)-N-[2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]ethyl]-1-(8-methylquinolin-6-yl)prop-1-en-1-amine;ethane;N-(2-fluoro-2-methylpropyl)formamide;methane;methylcyclopropane?
The InChIKey is SWZKXSVGSJZMHJ-NZIQBLEMSA-N. The full InChI is InChI=1S/C31H34FN3.C5H10FNO.C4H8.C2H6.CH4/c1-6-20(3)28-19-27(35-31(22(28)5)23-10-12-26(32)13-11-23)14-16-33-29(7-2)25-17-21(4)30-24(18-25)9-8-15-34-30;1-5(2,6)3-7-4-8;1-4-2-3-4;1-2;/h7-13,15,17-20,33H,6,14,16H2,1-5H3;4H,3H2,1-2H3,(H,7,8);4H,2-3H2,1H3;1-2H3;1H4/b29-7-;;;;.
What are the key properties of (Z)-N-[2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]ethyl]-1-(8-methylquinolin-6-yl)prop-1-en-1-amine;ethane;N-(2-fluoro-2-methylpropyl)formamide;methane;methylcyclopropane?
(Z)-N-[2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]ethyl]-1-(8-methylquinolin-6-yl)prop-1-en-1-amine;ethane;N-(2-fluoro-2-methylpropyl)formamide;methane;methylcyclopropane has a molecular weight of 688.99 g/mol, XLogP of 11.32, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]ethyl]-1-(8-methylquinolin-6-yl)prop-1-en-1-amine;ethane;N-(2-fluoro-2-methylpropyl)formamide;methane;methylcyclopropane is sourced from PubChem (CID 165395709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).