(13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-[6-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]hexyl]carbamate

C38H48N4O5 — CID 166635430

IUPAC(13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-[6-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]hexyl]carbamate
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCCCCCNC(=O)Oc1ccc3c(c1)CN1CCc4ccccc4C1N3C)O2
InChIInChI=1S/C38H48N4O5/c1-24-25(2)34-30(26(3)33(24)43)16-18-38(4,47-34)36(44)39-19-10-6-7-11-20-40-37(45)46-29-14-15-32-28(22-29)23-42-21-17-27-12-8-9-13-31(27)35(42)41(32)5/h8-9,12-15,22,35,43H,6-7,10-11,16-21,23H2,1-5H3,(H,39,44)(H,40,45)
InChIKeyMCVNQICJOWJYHJ-UHFFFAOYSA-N
MW640.82 g/mol
LogP6.37
Rot. Bonds9

About (13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-[6-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]hexyl]carbamate

(13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-[6-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]hexyl]carbamate (PubChem CID 166635430) has the molecular formula C38H48N4O5 and a molecular weight of 640.82 g/mol. Its IUPAC name is (13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-[6-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]hexyl]carbamate.

Molecular Properties

Compound Name(13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-[6-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]hexyl]carbamate
PubChem CID166635430
Molecular FormulaC38H48N4O5
Molecular Weight640.82 g/mol
Exact Mass640.36
IUPAC Name(13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-[6-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]hexyl]carbamate
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCCCCCNC(=O)Oc1ccc3c(c1)CN1CCc4ccccc4C1N3C)O2
InChIInChI=1S/C38H48N4O5/c1-24-25(2)34-30(26(3)33(24)43)16-18-38(4,47-34)36(44)39-19-10-6-7-11-20-40-37(45)46-29-14-15-32-28(22-29)23-42-21-17-27-12-8-9-13-31(27)35(42)41(32)5/h8-9,12-15,22,35,43H,6-7,10-11,16-21,23H2,1-5H3,(H,39,44)(H,40,45)
InChIKeyMCVNQICJOWJYHJ-UHFFFAOYSA-N
XLogP6.37
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.82
LogP ≤ 56.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-[6-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]hexyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-[6-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]hexyl]carbamate?
The IUPAC name of (13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-[6-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]hexyl]carbamate (CID 166635430) is (13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-[6-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]hexyl]carbamate.
What is the SMILES notation for (13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-[6-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]hexyl]carbamate?
The canonical SMILES for (13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-[6-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]hexyl]carbamate is Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCCCCCNC(=O)Oc1ccc3c(c1)CN1CCc4ccccc4C1N3C)O2.
What is the InChIKey of (13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-[6-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]hexyl]carbamate?
The InChIKey is MCVNQICJOWJYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H48N4O5/c1-24-25(2)34-30(26(3)33(24)43)16-18-38(4,47-34)36(44)39-19-10-6-7-11-20-40-37(45)46-29-14-15-32-28(22-29)23-42-21-17-27-12-8-9-13-31(27)35(42)41(32)5/h8-9,12-15,22,35,43H,6-7,10-11,16-21,23H2,1-5H3,(H,39,44)(H,40,45).
What are the key properties of (13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-[6-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]hexyl]carbamate?
(13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-[6-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]hexyl]carbamate has a molecular weight of 640.82 g/mol, XLogP of 6.37, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-[6-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]hexyl]carbamate is sourced from PubChem (CID 166635430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).