2-[8-methoxy-5-methyl-3-(4-methylphenyl)-2,4-dioxopyrimido[5,4-b]indol-1-yl]-N,N-dipropylacetamide

C27H32N4O4 — CID 22424017

IUPAC2-[8-methoxy-5-methyl-3-(4-methylphenyl)-2,4-dioxopyrimido[5,4-b]indol-1-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cn1c(=O)n(-c2ccc(C)cc2)c(=O)c2c1c1cc(OC)ccc1n2C
InChIInChI=1S/C27H32N4O4/c1-6-14-29(15-7-2)23(32)17-30-24-21-16-20(35-5)12-13-22(21)28(4)25(24)26(33)31(27(30)34)19-10-8-18(3)9-11-19/h8-13,16H,6-7,14-15,17H2,1-5H3
InChIKeyMKZWDMOUPABVDG-UHFFFAOYSA-N
MW476.58 g/mol
LogP3.61
Rot. Bonds8

About 2-[8-methoxy-5-methyl-3-(4-methylphenyl)-2,4-dioxopyrimido[5,4-b]indol-1-yl]-N,N-dipropylacetamide

2-[8-methoxy-5-methyl-3-(4-methylphenyl)-2,4-dioxopyrimido[5,4-b]indol-1-yl]-N,N-dipropylacetamide (PubChem CID 22424017) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is 2-[8-methoxy-5-methyl-3-(4-methylphenyl)-2,4-dioxopyrimido[5,4-b]indol-1-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[8-methoxy-5-methyl-3-(4-methylphenyl)-2,4-dioxopyrimido[5,4-b]indol-1-yl]-N,N-dipropylacetamide
PubChem CID22424017
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Name2-[8-methoxy-5-methyl-3-(4-methylphenyl)-2,4-dioxopyrimido[5,4-b]indol-1-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cn1c(=O)n(-c2ccc(C)cc2)c(=O)c2c1c1cc(OC)ccc1n2C
InChIInChI=1S/C27H32N4O4/c1-6-14-29(15-7-2)23(32)17-30-24-21-16-20(35-5)12-13-22(21)28(4)25(24)26(33)31(27(30)34)19-10-8-18(3)9-11-19/h8-13,16H,6-7,14-15,17H2,1-5H3
InChIKeyMKZWDMOUPABVDG-UHFFFAOYSA-N
XLogP3.61
TPSA78.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethylphenyl)-2-[8-methoxy-5-methyl-3-(4-methylphenyl)-2,4-dioxopyrimido[5,4-b]indol-1-yl]acetamide
CID 20914528
1-[(2-chlorophenyl)methyl]-8-methoxy-5-methyl-3-(4-methylphenyl)pyrimido[5,4-b]indole-2,4-dione
CID 20914504
2-[5,8-dimethyl-3-(4-methylphenyl)-2,4-dioxopyrimido[5,4-b]indol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 46276528
8-methoxy-5-methyl-1-(3-methylbutyl)-3-phenylpyrimido[5,4-b]indole-2,4-dione
CID 20914634
3-(3-chlorophenyl)-8-methoxy-1-[(4-methoxyphenyl)methyl]-5-methylpyrimido[5,4-b]indole-2,4-dione
CID 20914586
2-(5,8-dimethyl-2,4-dioxo-3-phenylpyrimido[5,4-b]indol-1-yl)-N-(4-ethylphenyl)acetamide
CID 20914453
8-methoxy-5-methyl-3-(3-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimido[5,4-b]indole-2,4-dione
CID 20914568
2-(5,8-dimethyl-2,4-dioxo-3-phenylpyrimido[5,4-b]indol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 20914467
3-(3-chlorophenyl)-5,8-dimethyl-1-propylpyrimido[5,4-b]indole-2,4-dione
CID 20914425
2-[5,8-dimethyl-3-(3-methylphenyl)-2,4-dioxopyrimido[5,4-b]indol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 16811548
2-(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
CID 117262736
3-(4-methoxyphenyl)-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-2,4-dione
CID 71956372

Frequently Asked Questions

What is the IUPAC name of 2-[8-methoxy-5-methyl-3-(4-methylphenyl)-2,4-dioxopyrimido[5,4-b]indol-1-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-[8-methoxy-5-methyl-3-(4-methylphenyl)-2,4-dioxopyrimido[5,4-b]indol-1-yl]-N,N-dipropylacetamide (CID 22424017) is 2-[8-methoxy-5-methyl-3-(4-methylphenyl)-2,4-dioxopyrimido[5,4-b]indol-1-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[8-methoxy-5-methyl-3-(4-methylphenyl)-2,4-dioxopyrimido[5,4-b]indol-1-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[8-methoxy-5-methyl-3-(4-methylphenyl)-2,4-dioxopyrimido[5,4-b]indol-1-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cn1c(=O)n(-c2ccc(C)cc2)c(=O)c2c1c1cc(OC)ccc1n2C.
What is the InChIKey of 2-[8-methoxy-5-methyl-3-(4-methylphenyl)-2,4-dioxopyrimido[5,4-b]indol-1-yl]-N,N-dipropylacetamide?
The InChIKey is MKZWDMOUPABVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-6-14-29(15-7-2)23(32)17-30-24-21-16-20(35-5)12-13-22(21)28(4)25(24)26(33)31(27(30)34)19-10-8-18(3)9-11-19/h8-13,16H,6-7,14-15,17H2,1-5H3.
What are the key properties of 2-[8-methoxy-5-methyl-3-(4-methylphenyl)-2,4-dioxopyrimido[5,4-b]indol-1-yl]-N,N-dipropylacetamide?
2-[8-methoxy-5-methyl-3-(4-methylphenyl)-2,4-dioxopyrimido[5,4-b]indol-1-yl]-N,N-dipropylacetamide has a molecular weight of 476.58 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-methoxy-5-methyl-3-(4-methylphenyl)-2,4-dioxopyrimido[5,4-b]indol-1-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 22424017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).