N-[5-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-2-pyridinyl]acetamide

C25H25N3O4 — CID 127024739

IUPACN-[5-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)c(C)n1
InChIInChI=1S/C25H25N3O4/c1-14-4-5-18-12-17(20-9-11-24(26-15(20)2)27-16(3)29)6-10-22(18)28(14)25(32)21-8-7-19(30)13-23(21)31/h6-14,30-31H,4-5H2,1-3H3,(H,26,27,29)/t14-/m0/s1
InChIKeyOWFZQPQOHDKLNC-AWEZNQCLSA-N
MW431.49 g/mol
LogP4.41
Rot. Bonds3

About N-[5-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-2-pyridinyl]acetamide

N-[5-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-2-pyridinyl]acetamide (PubChem CID 127024739) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is N-[5-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-2-pyridinyl]acetamide
PubChem CID127024739
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC NameN-[5-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)c(C)n1
InChIInChI=1S/C25H25N3O4/c1-14-4-5-18-12-17(20-9-11-24(26-15(20)2)27-16(3)29)6-10-22(18)28(14)25(32)21-8-7-19(30)13-23(21)31/h6-14,30-31H,4-5H2,1-3H3,(H,26,27,29)/t14-/m0/s1
InChIKeyOWFZQPQOHDKLNC-AWEZNQCLSA-N
XLogP4.41
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-2-pyridinyl]acetamide (CID 127024739) is N-[5-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-2-pyridinyl]acetamide is CC(=O)Nc1ccc(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)c(C)n1.
What is the InChIKey of N-[5-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-2-pyridinyl]acetamide?
The InChIKey is OWFZQPQOHDKLNC-AWEZNQCLSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-14-4-5-18-12-17(20-9-11-24(26-15(20)2)27-16(3)29)6-10-22(18)28(14)25(32)21-8-7-19(30)13-23(21)31/h6-14,30-31H,4-5H2,1-3H3,(H,26,27,29)/t14-/m0/s1.
What are the key properties of N-[5-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-2-pyridinyl]acetamide?
N-[5-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-2-pyridinyl]acetamide has a molecular weight of 431.49 g/mol, XLogP of 4.41, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-2-pyridinyl]acetamide is sourced from PubChem (CID 127024739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).