N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide

C26H29N3O5 — CID 45167266

IUPACN-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1cccc(C(=O)N(Cc2cc3cc4c(cc3nc2N(C)C)OCO4)CC2CCCO2)c1
InChIInChI=1S/C26H29N3O5/c1-28(2)25-19(10-18-12-23-24(34-16-33-23)13-22(18)27-25)14-29(15-21-8-5-9-32-21)26(30)17-6-4-7-20(11-17)31-3/h4,6-7,10-13,21H,5,8-9,14-16H2,1-3H3
InChIKeyKKXWVTPEXDUJQE-UHFFFAOYSA-N
MW463.53 g/mol
LogP3.86
Rot. Bonds7

About N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide

N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 45167266) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide
PubChem CID45167266
Molecular FormulaC26H29N3O5
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC NameN-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1cccc(C(=O)N(Cc2cc3cc4c(cc3nc2N(C)C)OCO4)CC2CCCO2)c1
InChIInChI=1S/C26H29N3O5/c1-28(2)25-19(10-18-12-23-24(34-16-33-23)13-22(18)27-25)14-29(15-21-8-5-9-32-21)26(30)17-6-4-7-20(11-17)31-3/h4,6-7,10-13,21H,5,8-9,14-16H2,1-3H3
InChIKeyKKXWVTPEXDUJQE-UHFFFAOYSA-N
XLogP3.86
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide (CID 45167266) is N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide is COc1cccc(C(=O)N(Cc2cc3cc4c(cc3nc2N(C)C)OCO4)CC2CCCO2)c1.
What is the InChIKey of N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is KKXWVTPEXDUJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5/c1-28(2)25-19(10-18-12-23-24(34-16-33-23)13-22(18)27-25)14-29(15-21-8-5-9-32-21)26(30)17-6-4-7-20(11-17)31-3/h4,6-7,10-13,21H,5,8-9,14-16H2,1-3H3.
What are the key properties of N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide?
N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 463.53 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 45167266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).