2-(dimethylamino)-N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]acetamide

C27H28N4O3 — CID 141498081

IUPAC2-(dimethylamino)-N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]acetamide
SMILESCOc1ccc(-c2cc3ccc(OC)cc3nc2Nc2ccc(NC(=O)CN(C)C)cc2)cc1
InChIInChI=1S/C27H28N4O3/c1-31(2)17-26(32)28-20-8-10-21(11-9-20)29-27-24(18-5-12-22(33-3)13-6-18)15-19-7-14-23(34-4)16-25(19)30-27/h5-16H,17H2,1-4H3,(H,28,32)(H,29,30)
InChIKeyYJZWYFVCSIIDBC-UHFFFAOYSA-N
MW456.55 g/mol
LogP5.16
Rot. Bonds8

About 2-(dimethylamino)-N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]acetamide

2-(dimethylamino)-N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]acetamide (PubChem CID 141498081) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]acetamide
PubChem CID141498081
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC Name2-(dimethylamino)-N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]acetamide
SMILESCOc1ccc(-c2cc3ccc(OC)cc3nc2Nc2ccc(NC(=O)CN(C)C)cc2)cc1
InChIInChI=1S/C27H28N4O3/c1-31(2)17-26(32)28-20-8-10-21(11-9-20)29-27-24(18-5-12-22(33-3)13-6-18)15-19-7-14-23(34-4)16-25(19)30-27/h5-16H,17H2,1-4H3,(H,28,32)(H,29,30)
InChIKeyYJZWYFVCSIIDBC-UHFFFAOYSA-N
XLogP5.16
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.55
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]acetamide (CID 141498081) is 2-(dimethylamino)-N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]acetamide is COc1ccc(-c2cc3ccc(OC)cc3nc2Nc2ccc(NC(=O)CN(C)C)cc2)cc1.
What is the InChIKey of 2-(dimethylamino)-N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]acetamide?
The InChIKey is YJZWYFVCSIIDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-31(2)17-26(32)28-20-8-10-21(11-9-20)29-27-24(18-5-12-22(33-3)13-6-18)15-19-7-14-23(34-4)16-25(19)30-27/h5-16H,17H2,1-4H3,(H,28,32)(H,29,30).
What are the key properties of 2-(dimethylamino)-N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]acetamide?
2-(dimethylamino)-N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]acetamide has a molecular weight of 456.55 g/mol, XLogP of 5.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 141498081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).