N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-(4-phenylmethoxyphenyl)acetamide

C29H30N4O2 — CID 44533473

IUPACN-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-(4-phenylmethoxyphenyl)acetamide
SMILESCN1CCN(c2ccnc3ccc(NC(=O)Cc4ccc(OCc5ccccc5)cc4)cc23)CC1
InChIInChI=1S/C29H30N4O2/c1-32-15-17-33(18-16-32)28-13-14-30-27-12-9-24(20-26(27)28)31-29(34)19-22-7-10-25(11-8-22)35-21-23-5-3-2-4-6-23/h2-14,20H,15-19,21H2,1H3,(H,31,34)
InChIKeyKMBLZUUQRRVHOO-UHFFFAOYSA-N
MW466.59 g/mol
LogP4.75
Rot. Bonds7

About N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-(4-phenylmethoxyphenyl)acetamide

N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-(4-phenylmethoxyphenyl)acetamide (PubChem CID 44533473) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-(4-phenylmethoxyphenyl)acetamide
PubChem CID44533473
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC NameN-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-(4-phenylmethoxyphenyl)acetamide
SMILESCN1CCN(c2ccnc3ccc(NC(=O)Cc4ccc(OCc5ccccc5)cc4)cc23)CC1
InChIInChI=1S/C29H30N4O2/c1-32-15-17-33(18-16-32)28-13-14-30-27-12-9-24(20-26(27)28)31-29(34)19-22-7-10-25(11-8-22)35-21-23-5-3-2-4-6-23/h2-14,20H,15-19,21H2,1H3,(H,31,34)
InChIKeyKMBLZUUQRRVHOO-UHFFFAOYSA-N
XLogP4.75
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-(4-phenylmethoxyphenyl)acetamide (CID 44533473) is N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-(4-phenylmethoxyphenyl)acetamide is CN1CCN(c2ccnc3ccc(NC(=O)Cc4ccc(OCc5ccccc5)cc4)cc23)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is KMBLZUUQRRVHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2/c1-32-15-17-33(18-16-32)28-13-14-30-27-12-9-24(20-26(27)28)31-29(34)19-22-7-10-25(11-8-22)35-21-23-5-3-2-4-6-23/h2-14,20H,15-19,21H2,1H3,(H,31,34).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-(4-phenylmethoxyphenyl)acetamide?
N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 466.59 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 44533473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).