ethane;N-(3-methoxycyclohexyl)-N-[3-methyl-6-(6-methyl-3-pyridinyl)quinolin-4-yl]acetamide;4-propan-2-ylheptane

C41H69N3O2 — CID 145305826

IUPACethane;N-(3-methoxycyclohexyl)-N-[3-methyl-6-(6-methyl-3-pyridinyl)quinolin-4-yl]acetamide;4-propan-2-ylheptane
SMILESCC.CC.CC.CCCC(CCC)C(C)C.COC1CCCC(N(C(C)=O)c2c(C)cnc3ccc(-c4ccc(C)nc4)cc23)C1
InChIInChI=1S/C25H29N3O2.C10H22.3C2H6/c1-16-14-27-24-11-10-19(20-9-8-17(2)26-15-20)12-23(24)25(16)28(18(3)29)21-6-5-7-22(13-21)30-4;1-5-7-10(8-6-2)9(3)4;3*1-2/h8-12,14-15,21-22H,5-7,13H2,1-4H3;9-10H,5-8H2,1-4H3;3*1-2H3
InChIKeyDJQPHOSSDUQARP-UHFFFAOYSA-N
MW636.02 g/mol
LogP12.16
Rot. Bonds9

About ethane;N-(3-methoxycyclohexyl)-N-[3-methyl-6-(6-methyl-3-pyridinyl)quinolin-4-yl]acetamide;4-propan-2-ylheptane

ethane;N-(3-methoxycyclohexyl)-N-[3-methyl-6-(6-methyl-3-pyridinyl)quinolin-4-yl]acetamide;4-propan-2-ylheptane (PubChem CID 145305826) has the molecular formula C41H69N3O2 and a molecular weight of 636.02 g/mol. Its IUPAC name is ethane;N-(3-methoxycyclohexyl)-N-[3-methyl-6-(6-methyl-3-pyridinyl)quinolin-4-yl]acetamide;4-propan-2-ylheptane.

Molecular Properties

Compound Nameethane;N-(3-methoxycyclohexyl)-N-[3-methyl-6-(6-methyl-3-pyridinyl)quinolin-4-yl]acetamide;4-propan-2-ylheptane
PubChem CID145305826
Molecular FormulaC41H69N3O2
Molecular Weight636.02 g/mol
Exact Mass635.54
IUPAC Nameethane;N-(3-methoxycyclohexyl)-N-[3-methyl-6-(6-methyl-3-pyridinyl)quinolin-4-yl]acetamide;4-propan-2-ylheptane
SMILESCC.CC.CC.CCCC(CCC)C(C)C.COC1CCCC(N(C(C)=O)c2c(C)cnc3ccc(-c4ccc(C)nc4)cc23)C1
InChIInChI=1S/C25H29N3O2.C10H22.3C2H6/c1-16-14-27-24-11-10-19(20-9-8-17(2)26-15-20)12-23(24)25(16)28(18(3)29)21-6-5-7-22(13-21)30-4;1-5-7-10(8-6-2)9(3)4;3*1-2/h8-12,14-15,21-22H,5-7,13H2,1-4H3;9-10H,5-8H2,1-4H3;3*1-2H3
InChIKeyDJQPHOSSDUQARP-UHFFFAOYSA-N
XLogP12.16
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.02
LogP ≤ 512.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-methoxycyclohexyl)-N-[3-methyl-6-(6-methyl-3-pyridinyl)quinolin-4-yl]acetamide;4-propan-2-ylheptane?
The IUPAC name of ethane;N-(3-methoxycyclohexyl)-N-[3-methyl-6-(6-methyl-3-pyridinyl)quinolin-4-yl]acetamide;4-propan-2-ylheptane (CID 145305826) is ethane;N-(3-methoxycyclohexyl)-N-[3-methyl-6-(6-methyl-3-pyridinyl)quinolin-4-yl]acetamide;4-propan-2-ylheptane.
What is the SMILES notation for ethane;N-(3-methoxycyclohexyl)-N-[3-methyl-6-(6-methyl-3-pyridinyl)quinolin-4-yl]acetamide;4-propan-2-ylheptane?
The canonical SMILES for ethane;N-(3-methoxycyclohexyl)-N-[3-methyl-6-(6-methyl-3-pyridinyl)quinolin-4-yl]acetamide;4-propan-2-ylheptane is CC.CC.CC.CCCC(CCC)C(C)C.COC1CCCC(N(C(C)=O)c2c(C)cnc3ccc(-c4ccc(C)nc4)cc23)C1.
What is the InChIKey of ethane;N-(3-methoxycyclohexyl)-N-[3-methyl-6-(6-methyl-3-pyridinyl)quinolin-4-yl]acetamide;4-propan-2-ylheptane?
The InChIKey is DJQPHOSSDUQARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2.C10H22.3C2H6/c1-16-14-27-24-11-10-19(20-9-8-17(2)26-15-20)12-23(24)25(16)28(18(3)29)21-6-5-7-22(13-21)30-4;1-5-7-10(8-6-2)9(3)4;3*1-2/h8-12,14-15,21-22H,5-7,13H2,1-4H3;9-10H,5-8H2,1-4H3;3*1-2H3.
What are the key properties of ethane;N-(3-methoxycyclohexyl)-N-[3-methyl-6-(6-methyl-3-pyridinyl)quinolin-4-yl]acetamide;4-propan-2-ylheptane?
ethane;N-(3-methoxycyclohexyl)-N-[3-methyl-6-(6-methyl-3-pyridinyl)quinolin-4-yl]acetamide;4-propan-2-ylheptane has a molecular weight of 636.02 g/mol, XLogP of 12.16, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-methoxycyclohexyl)-N-[3-methyl-6-(6-methyl-3-pyridinyl)quinolin-4-yl]acetamide;4-propan-2-ylheptane is sourced from PubChem (CID 145305826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).