N-[2-[2-[4-(cyclopropylmethylamino)phenoxy]quinolin-6-yl]ethyl]acetamide

C23H25N3O2 — CID 68793938

IUPACN-[2-[2-[4-(cyclopropylmethylamino)phenoxy]quinolin-6-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc2nc(Oc3ccc(NCC4CC4)cc3)ccc2c1
InChIInChI=1S/C23H25N3O2/c1-16(27)24-13-12-17-4-10-22-19(14-17)5-11-23(26-22)28-21-8-6-20(7-9-21)25-15-18-2-3-18/h4-11,14,18,25H,2-3,12-13,15H2,1H3,(H,24,27)
InChIKeyXMPWZZYKWHPXBT-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.53
Rot. Bonds8

About N-[2-[2-[4-(cyclopropylmethylamino)phenoxy]quinolin-6-yl]ethyl]acetamide

N-[2-[2-[4-(cyclopropylmethylamino)phenoxy]quinolin-6-yl]ethyl]acetamide (PubChem CID 68793938) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[2-[2-[4-(cyclopropylmethylamino)phenoxy]quinolin-6-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[4-(cyclopropylmethylamino)phenoxy]quinolin-6-yl]ethyl]acetamide
PubChem CID68793938
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[2-[2-[4-(cyclopropylmethylamino)phenoxy]quinolin-6-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc2nc(Oc3ccc(NCC4CC4)cc3)ccc2c1
InChIInChI=1S/C23H25N3O2/c1-16(27)24-13-12-17-4-10-22-19(14-17)5-11-23(26-22)28-21-8-6-20(7-9-21)25-15-18-2-3-18/h4-11,14,18,25H,2-3,12-13,15H2,1H3,(H,24,27)
InChIKeyXMPWZZYKWHPXBT-UHFFFAOYSA-N
XLogP4.53
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(cyclopropylmethylamino)phenoxy]quinolin-6-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-[4-(cyclopropylmethylamino)phenoxy]quinolin-6-yl]ethyl]acetamide (CID 68793938) is N-[2-[2-[4-(cyclopropylmethylamino)phenoxy]quinolin-6-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-[4-(cyclopropylmethylamino)phenoxy]quinolin-6-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-[4-(cyclopropylmethylamino)phenoxy]quinolin-6-yl]ethyl]acetamide is CC(=O)NCCc1ccc2nc(Oc3ccc(NCC4CC4)cc3)ccc2c1.
What is the InChIKey of N-[2-[2-[4-(cyclopropylmethylamino)phenoxy]quinolin-6-yl]ethyl]acetamide?
The InChIKey is XMPWZZYKWHPXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16(27)24-13-12-17-4-10-22-19(14-17)5-11-23(26-22)28-21-8-6-20(7-9-21)25-15-18-2-3-18/h4-11,14,18,25H,2-3,12-13,15H2,1H3,(H,24,27).
What are the key properties of N-[2-[2-[4-(cyclopropylmethylamino)phenoxy]quinolin-6-yl]ethyl]acetamide?
N-[2-[2-[4-(cyclopropylmethylamino)phenoxy]quinolin-6-yl]ethyl]acetamide has a molecular weight of 375.47 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-(cyclopropylmethylamino)phenoxy]quinolin-6-yl]ethyl]acetamide is sourced from PubChem (CID 68793938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).