(2S)-2-hydroxy-N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide

C22H25N3O3 — CID 71536490

IUPAC(2S)-2-hydroxy-N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
SMILESC[C@H](O)C(=O)NC1CCCc2c(-c3ccc4c(c3)CCC(=O)N4C)cncc21
InChIInChI=1S/C22H25N3O3/c1-13(26)22(28)24-19-5-3-4-16-17(11-23-12-18(16)19)14-6-8-20-15(10-14)7-9-21(27)25(20)2/h6,8,10-13,19,26H,3-5,7,9H2,1-2H3,(H,24,28)/t13-,19?/m0/s1
InChIKeyABOAFLYBEQQYKZ-YTJLLHSVSA-N
MW379.46 g/mol
LogP2.53
Rot. Bonds3

About (2S)-2-hydroxy-N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide

(2S)-2-hydroxy-N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide (PubChem CID 71536490) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
PubChem CID71536490
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name(2S)-2-hydroxy-N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
SMILESC[C@H](O)C(=O)NC1CCCc2c(-c3ccc4c(c3)CCC(=O)N4C)cncc21
InChIInChI=1S/C22H25N3O3/c1-13(26)22(28)24-19-5-3-4-16-17(11-23-12-18(16)19)14-6-8-20-15(10-14)7-9-21(27)25(20)2/h6,8,10-13,19,26H,3-5,7,9H2,1-2H3,(H,24,28)/t13-,19?/m0/s1
InChIKeyABOAFLYBEQQYKZ-YTJLLHSVSA-N
XLogP2.53
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide?
The IUPAC name of (2S)-2-hydroxy-N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide (CID 71536490) is (2S)-2-hydroxy-N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide.
What is the SMILES notation for (2S)-2-hydroxy-N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide?
The canonical SMILES for (2S)-2-hydroxy-N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide is C[C@H](O)C(=O)NC1CCCc2c(-c3ccc4c(c3)CCC(=O)N4C)cncc21.
What is the InChIKey of (2S)-2-hydroxy-N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide?
The InChIKey is ABOAFLYBEQQYKZ-YTJLLHSVSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-13(26)22(28)24-19-5-3-4-16-17(11-23-12-18(16)19)14-6-8-20-15(10-14)7-9-21(27)25(20)2/h6,8,10-13,19,26H,3-5,7,9H2,1-2H3,(H,24,28)/t13-,19?/m0/s1.
What are the key properties of (2S)-2-hydroxy-N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide?
(2S)-2-hydroxy-N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide has a molecular weight of 379.46 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide is sourced from PubChem (CID 71536490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).