7-methoxy-N,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide

C21H29N3O2 — CID 134047010

IUPAC7-methoxy-N,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)N(C)C3CCN(C(C)C)CC3)c(C)nc2c1
InChIInChI=1S/C21H29N3O2/c1-14(2)24-10-8-17(9-11-24)23(4)21(25)19-12-16-6-7-18(26-5)13-20(16)22-15(19)3/h6-7,12-14,17H,8-11H2,1-5H3
InChIKeyXKRJWIMVYXPGLQ-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.50
Rot. Bonds4

About 7-methoxy-N,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide

7-methoxy-N,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide (PubChem CID 134047010) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 7-methoxy-N,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide
PubChem CID134047010
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name7-methoxy-N,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)N(C)C3CCN(C(C)C)CC3)c(C)nc2c1
InChIInChI=1S/C21H29N3O2/c1-14(2)24-10-8-17(9-11-24)23(4)21(25)19-12-16-6-7-18(26-5)13-20(16)22-15(19)3/h6-7,12-14,17H,8-11H2,1-5H3
InChIKeyXKRJWIMVYXPGLQ-UHFFFAOYSA-N
XLogP3.50
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide?
The IUPAC name of 7-methoxy-N,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide (CID 134047010) is 7-methoxy-N,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide.
What is the SMILES notation for 7-methoxy-N,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide?
The canonical SMILES for 7-methoxy-N,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide is COc1ccc2cc(C(=O)N(C)C3CCN(C(C)C)CC3)c(C)nc2c1.
What is the InChIKey of 7-methoxy-N,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide?
The InChIKey is XKRJWIMVYXPGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-14(2)24-10-8-17(9-11-24)23(4)21(25)19-12-16-6-7-18(26-5)13-20(16)22-15(19)3/h6-7,12-14,17H,8-11H2,1-5H3.
What are the key properties of 7-methoxy-N,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide?
7-methoxy-N,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide is sourced from PubChem (CID 134047010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).