(3-methoxyphenyl)-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone

C27H29NO2 — CID 3120682

IUPAC(3-methoxyphenyl)-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone
SMILESCOc1cccc(C(=O)N2c3ccc(C)cc3C(C)(c3ccccc3)CC2(C)C)c1
InChIInChI=1S/C27H29NO2/c1-19-14-15-24-23(16-19)27(4,21-11-7-6-8-12-21)18-26(2,3)28(24)25(29)20-10-9-13-22(17-20)30-5/h6-17H,18H2,1-5H3
InChIKeyTYVDXXLIGWGCPF-UHFFFAOYSA-N
MW399.53 g/mol
LogP6.14
Rot. Bonds3

About (3-methoxyphenyl)-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone

(3-methoxyphenyl)-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone (PubChem CID 3120682) has the molecular formula C27H29NO2 and a molecular weight of 399.53 g/mol. Its IUPAC name is (3-methoxyphenyl)-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone
PubChem CID3120682
Molecular FormulaC27H29NO2
Molecular Weight399.53 g/mol
Exact Mass399.22
IUPAC Name(3-methoxyphenyl)-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone
SMILESCOc1cccc(C(=O)N2c3ccc(C)cc3C(C)(c3ccccc3)CC2(C)C)c1
InChIInChI=1S/C27H29NO2/c1-19-14-15-24-23(16-19)27(4,21-11-7-6-8-12-21)18-26(2,3)28(24)25(29)20-10-9-13-22(17-20)30-5/h6-17H,18H2,1-5H3
InChIKeyTYVDXXLIGWGCPF-UHFFFAOYSA-N
XLogP6.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.53
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone (CID 3120682) is (3-methoxyphenyl)-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone is COc1cccc(C(=O)N2c3ccc(C)cc3C(C)(c3ccccc3)CC2(C)C)c1.
What is the InChIKey of (3-methoxyphenyl)-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone?
The InChIKey is TYVDXXLIGWGCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO2/c1-19-14-15-24-23(16-19)27(4,21-11-7-6-8-12-21)18-26(2,3)28(24)25(29)20-10-9-13-22(17-20)30-5/h6-17H,18H2,1-5H3.
What are the key properties of (3-methoxyphenyl)-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone?
(3-methoxyphenyl)-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone has a molecular weight of 399.53 g/mol, XLogP of 6.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone is sourced from PubChem (CID 3120682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).