N,N-dimethyl-8-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide

C26H29N3O4 — CID 164600797

IUPACN,N-dimethyl-8-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide
SMILESCc1ccc2c(c1)CCN2Cc1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C26H29N3O4/c1-17-4-5-22-18(12-17)6-7-29(22)16-20-13-19(26(31)27(2)3)14-21-23(30)15-24(33-25(20)21)28-8-10-32-11-9-28/h4-5,12-15H,6-11,16H2,1-3H3
InChIKeyVNTAEKJHSVYQEM-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.20
Rot. Bonds4

About N,N-dimethyl-8-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide

N,N-dimethyl-8-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide (PubChem CID 164600797) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is N,N-dimethyl-8-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-8-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide
PubChem CID164600797
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC NameN,N-dimethyl-8-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide
SMILESCc1ccc2c(c1)CCN2Cc1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C26H29N3O4/c1-17-4-5-22-18(12-17)6-7-29(22)16-20-13-19(26(31)27(2)3)14-21-23(30)15-24(33-25(20)21)28-8-10-32-11-9-28/h4-5,12-15H,6-11,16H2,1-3H3
InChIKeyVNTAEKJHSVYQEM-UHFFFAOYSA-N
XLogP3.20
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
CID 127046318
8-[[N-(2-cyanoethyl)-3,5-difluoroanilino]methyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
CID 127046089
8-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-2-[(2S)-2-(methoxymethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-carboxamide
CID 164600836
8-(1-bromoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide;8-(1-hydroxyethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
CID 160531552
8-acetyl-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide;8-[N-[(R)-tert-butylsulfinyl]-C-methylcarbonimidoyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
CID 159079391
tert-butyl 2-[6-(dimethylcarbamoyl)-2-morpholin-4-yl-4-oxochromen-8-yl]pyrrole-1-carboxylate
CID 86672430
8-acetyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid
CID 58234981
N-[2-(dimethylamino)ethyl]-8-[2-(4-fluoro-N-methylanilino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide
CID 67194895
N-[2-(dimethylamino)ethyl]-8-(1-hydroxyethyl)-2-morpholin-4-yl-4-oxochromene-6-carboxamide
CID 58235055
8-[1-(3-methoxyphenyl)pyrrolidin-2-yl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
CID 89051673
8-ethenyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid;methanol
CID 164600760
5-methyl-2-morpholin-4-ylbenzoic acid
CID 62516703

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-8-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The IUPAC name of N,N-dimethyl-8-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide (CID 164600797) is N,N-dimethyl-8-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide.
What is the SMILES notation for N,N-dimethyl-8-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The canonical SMILES for N,N-dimethyl-8-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide is Cc1ccc2c(c1)CCN2Cc1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12.
What is the InChIKey of N,N-dimethyl-8-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The InChIKey is VNTAEKJHSVYQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-17-4-5-22-18(12-17)6-7-29(22)16-20-13-19(26(31)27(2)3)14-21-23(30)15-24(33-25(20)21)28-8-10-32-11-9-28/h4-5,12-15H,6-11,16H2,1-3H3.
What are the key properties of N,N-dimethyl-8-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
N,N-dimethyl-8-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-8-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide is sourced from PubChem (CID 164600797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).