2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;4-(2,6-dichlorophenyl)-2-[[2-(2,6-dichlorophenyl)quinolin-6-yl]methyl]-N-(2-morpholin-4-ylethyl)-4-oxobutanamide;2-morpholin-4-ylethanamine

C63H59Cl8N7O7 — CID 157395780

IUPAC2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;4-(2,6-dichlorophenyl)-2-[[2-(2,6-dichlorophenyl)quinolin-6-yl]methyl]-N-(2-morpholin-4-ylethyl)-4-oxobutanamide;2-morpholin-4-ylethanamine
SMILESNCCN1CCOCC1.O=C(CC(Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)C(=O)NCCN1CCOCC1)c1c(Cl)cccc1Cl.O=C(NC(Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)C(=O)O)c1c(Cl)cccc1Cl
InChIInChI=1S/C32H29Cl4N3O3.C25H16Cl4N2O3.C6H14N2O/c33-23-3-1-4-24(34)30(23)28-10-8-21-17-20(7-9-27(21)38-28)18-22(19-29(40)31-25(35)5-2-6-26(31)36)32(41)37-11-12-39-13-15-42-16-14-39;26-15-3-1-4-16(27)22(15)20-10-8-14-11-13(7-9-19(14)30-20)12-21(25(33)34)31-24(32)23-17(28)5-2-6-18(23)29;7-1-2-8-3-5-9-6-4-8/h1-10,17,22H,11-16,18-19H2,(H,37,41);1-11,21H,12H2,(H,31,32)(H,33,34);1-7H2
InChIKeyBMOBVOIHZRBCMY-UHFFFAOYSA-N
MW1309.83 g/mol
LogP13.61
Rot. Bonds18

About 2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;4-(2,6-dichlorophenyl)-2-[[2-(2,6-dichlorophenyl)quinolin-6-yl]methyl]-N-(2-morpholin-4-ylethyl)-4-oxobutanamide;2-morpholin-4-ylethanamine

2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;4-(2,6-dichlorophenyl)-2-[[2-(2,6-dichlorophenyl)quinolin-6-yl]methyl]-N-(2-morpholin-4-ylethyl)-4-oxobutanamide;2-morpholin-4-ylethanamine (PubChem CID 157395780) has the molecular formula C63H59Cl8N7O7 and a molecular weight of 1309.83 g/mol. Its IUPAC name is 2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;4-(2,6-dichlorophenyl)-2-[[2-(2,6-dichlorophenyl)quinolin-6-yl]methyl]-N-(2-morpholin-4-ylethyl)-4-oxobutanamide;2-morpholin-4-ylethanamine.

Molecular Properties

Compound Name2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;4-(2,6-dichlorophenyl)-2-[[2-(2,6-dichlorophenyl)quinolin-6-yl]methyl]-N-(2-morpholin-4-ylethyl)-4-oxobutanamide;2-morpholin-4-ylethanamine
PubChem CID157395780
Molecular FormulaC63H59Cl8N7O7
Molecular Weight1309.83 g/mol
Exact Mass1305.20
IUPAC Name2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;4-(2,6-dichlorophenyl)-2-[[2-(2,6-dichlorophenyl)quinolin-6-yl]methyl]-N-(2-morpholin-4-ylethyl)-4-oxobutanamide;2-morpholin-4-ylethanamine
SMILESNCCN1CCOCC1.O=C(CC(Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)C(=O)NCCN1CCOCC1)c1c(Cl)cccc1Cl.O=C(NC(Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)C(=O)O)c1c(Cl)cccc1Cl
InChIInChI=1S/C32H29Cl4N3O3.C25H16Cl4N2O3.C6H14N2O/c33-23-3-1-4-24(34)30(23)28-10-8-21-17-20(7-9-27(21)38-28)18-22(19-29(40)31-25(35)5-2-6-26(31)36)32(41)37-11-12-39-13-15-42-16-14-39;26-15-3-1-4-16(27)22(15)20-10-8-14-11-13(7-9-19(14)30-20)12-21(25(33)34)31-24(32)23-17(28)5-2-6-18(23)29;7-1-2-8-3-5-9-6-4-8/h1-10,17,22H,11-16,18-19H2,(H,37,41);1-11,21H,12H2,(H,31,32)(H,33,34);1-7H2
InChIKeyBMOBVOIHZRBCMY-UHFFFAOYSA-N
XLogP13.61
TPSA189.31 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001309.83
LogP ≤ 513.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;4-(2,6-dichlorophenyl)-2-[[2-(2,6-dichlorophenyl)quinolin-6-yl]methyl]-N-(2-morpholin-4-ylethyl)-4-oxobutanamide;2-morpholin-4-ylethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;4-(2,6-dichlorophenyl)-2-[[2-(2,6-dichlorophenyl)quinolin-6-yl]methyl]-N-(2-morpholin-4-ylethyl)-4-oxobutanamide;2-morpholin-4-ylethanamine?
The IUPAC name of 2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;4-(2,6-dichlorophenyl)-2-[[2-(2,6-dichlorophenyl)quinolin-6-yl]methyl]-N-(2-morpholin-4-ylethyl)-4-oxobutanamide;2-morpholin-4-ylethanamine (CID 157395780) is 2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;4-(2,6-dichlorophenyl)-2-[[2-(2,6-dichlorophenyl)quinolin-6-yl]methyl]-N-(2-morpholin-4-ylethyl)-4-oxobutanamide;2-morpholin-4-ylethanamine.
What is the SMILES notation for 2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;4-(2,6-dichlorophenyl)-2-[[2-(2,6-dichlorophenyl)quinolin-6-yl]methyl]-N-(2-morpholin-4-ylethyl)-4-oxobutanamide;2-morpholin-4-ylethanamine?
The canonical SMILES for 2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;4-(2,6-dichlorophenyl)-2-[[2-(2,6-dichlorophenyl)quinolin-6-yl]methyl]-N-(2-morpholin-4-ylethyl)-4-oxobutanamide;2-morpholin-4-ylethanamine is NCCN1CCOCC1.O=C(CC(Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)C(=O)NCCN1CCOCC1)c1c(Cl)cccc1Cl.O=C(NC(Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)C(=O)O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;4-(2,6-dichlorophenyl)-2-[[2-(2,6-dichlorophenyl)quinolin-6-yl]methyl]-N-(2-morpholin-4-ylethyl)-4-oxobutanamide;2-morpholin-4-ylethanamine?
The InChIKey is BMOBVOIHZRBCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29Cl4N3O3.C25H16Cl4N2O3.C6H14N2O/c33-23-3-1-4-24(34)30(23)28-10-8-21-17-20(7-9-27(21)38-28)18-22(19-29(40)31-25(35)5-2-6-26(31)36)32(41)37-11-12-39-13-15-42-16-14-39;26-15-3-1-4-16(27)22(15)20-10-8-14-11-13(7-9-19(14)30-20)12-21(25(33)34)31-24(32)23-17(28)5-2-6-18(23)29;7-1-2-8-3-5-9-6-4-8/h1-10,17,22H,11-16,18-19H2,(H,37,41);1-11,21H,12H2,(H,31,32)(H,33,34);1-7H2.
What are the key properties of 2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;4-(2,6-dichlorophenyl)-2-[[2-(2,6-dichlorophenyl)quinolin-6-yl]methyl]-N-(2-morpholin-4-ylethyl)-4-oxobutanamide;2-morpholin-4-ylethanamine?
2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;4-(2,6-dichlorophenyl)-2-[[2-(2,6-dichlorophenyl)quinolin-6-yl]methyl]-N-(2-morpholin-4-ylethyl)-4-oxobutanamide;2-morpholin-4-ylethanamine has a molecular weight of 1309.83 g/mol, XLogP of 13.61, 18 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;4-(2,6-dichlorophenyl)-2-[[2-(2,6-dichlorophenyl)quinolin-6-yl]methyl]-N-(2-morpholin-4-ylethyl)-4-oxobutanamide;2-morpholin-4-ylethanamine is sourced from PubChem (CID 157395780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).