N-[4-amino-1-(2-hydroxyethyl)naphthalen-2-yl]-5,6,7-trimethoxy-1H-indole-2-carboxamide

C24H25N3O5 — CID 11293471

IUPACN-[4-amino-1-(2-hydroxyethyl)naphthalen-2-yl]-5,6,7-trimethoxy-1H-indole-2-carboxamide
SMILESCOc1cc2cc(C(=O)Nc3cc(N)c4ccccc4c3CCO)[nH]c2c(OC)c1OC
InChIInChI=1S/C24H25N3O5/c1-30-20-11-13-10-19(26-21(13)23(32-3)22(20)31-2)24(29)27-18-12-17(25)15-7-5-4-6-14(15)16(18)8-9-28/h4-7,10-12,26,28H,8-9,25H2,1-3H3,(H,27,29)
InChIKeyZGHASTJVQVRPHZ-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.72
Rot. Bonds7

About N-[4-amino-1-(2-hydroxyethyl)naphthalen-2-yl]-5,6,7-trimethoxy-1H-indole-2-carboxamide

N-[4-amino-1-(2-hydroxyethyl)naphthalen-2-yl]-5,6,7-trimethoxy-1H-indole-2-carboxamide (PubChem CID 11293471) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[4-amino-1-(2-hydroxyethyl)naphthalen-2-yl]-5,6,7-trimethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-amino-1-(2-hydroxyethyl)naphthalen-2-yl]-5,6,7-trimethoxy-1H-indole-2-carboxamide
PubChem CID11293471
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC NameN-[4-amino-1-(2-hydroxyethyl)naphthalen-2-yl]-5,6,7-trimethoxy-1H-indole-2-carboxamide
SMILESCOc1cc2cc(C(=O)Nc3cc(N)c4ccccc4c3CCO)[nH]c2c(OC)c1OC
InChIInChI=1S/C24H25N3O5/c1-30-20-11-13-10-19(26-21(13)23(32-3)22(20)31-2)24(29)27-18-12-17(25)15-7-5-4-6-14(15)16(18)8-9-28/h4-7,10-12,26,28H,8-9,25H2,1-3H3,(H,27,29)
InChIKeyZGHASTJVQVRPHZ-UHFFFAOYSA-N
XLogP3.72
TPSA118.83 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-phenylmethoxy-2-[(5,6,7-trimethoxy-1H-indole-2-carbonyl)amino]naphthalen-1-yl]ethyl methanesulfonate
CID 11467559
3-[4-phenylmethoxy-2-[(5,6,7-trimethoxy-1H-indole-2-carbonyl)amino]naphthalen-1-yl]propane-1-sulfonic acid
CID 91307115
N-[5-benzyl-2-(2-chloroethyl)phenyl]-5,6,7-trimethoxy-1H-indole-2-carboxamide
CID 141049186
N-(4-tert-butylphenyl)-5,6,7-trimethoxy-1H-indole-2-carboxamide
CID 47027000
5,6,7-trimethoxy-N-(1-naphthalen-1-ylethyl)-1H-indole-2-carboxamide
CID 77386847
5,6,7-trimethoxy-N-[1-(4-phenylphenyl)ethyl]-1H-indole-2-carboxamide
CID 43074909
5,6,7-trimethoxy-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide
CID 29129962
N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]-5,6,7-trimethoxy-1H-indole-2-carboxamide
CID 42580675
(3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxy-1H-indol-2-yl)methanone
CID 51032771
7-methoxy-N-phenyl-1H-indole-2-carboxamide
CID 110856487
[(1S)-1-butyl-5-methoxy-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone
CID 170391443
[1-(chloromethyl)-3-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,2-dihydrobenzo[e]indol-3-ium-3-yl]carbamic acid
CID 57273697

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1-(2-hydroxyethyl)naphthalen-2-yl]-5,6,7-trimethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[4-amino-1-(2-hydroxyethyl)naphthalen-2-yl]-5,6,7-trimethoxy-1H-indole-2-carboxamide (CID 11293471) is N-[4-amino-1-(2-hydroxyethyl)naphthalen-2-yl]-5,6,7-trimethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-amino-1-(2-hydroxyethyl)naphthalen-2-yl]-5,6,7-trimethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-amino-1-(2-hydroxyethyl)naphthalen-2-yl]-5,6,7-trimethoxy-1H-indole-2-carboxamide is COc1cc2cc(C(=O)Nc3cc(N)c4ccccc4c3CCO)[nH]c2c(OC)c1OC.
What is the InChIKey of N-[4-amino-1-(2-hydroxyethyl)naphthalen-2-yl]-5,6,7-trimethoxy-1H-indole-2-carboxamide?
The InChIKey is ZGHASTJVQVRPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-30-20-11-13-10-19(26-21(13)23(32-3)22(20)31-2)24(29)27-18-12-17(25)15-7-5-4-6-14(15)16(18)8-9-28/h4-7,10-12,26,28H,8-9,25H2,1-3H3,(H,27,29).
What are the key properties of N-[4-amino-1-(2-hydroxyethyl)naphthalen-2-yl]-5,6,7-trimethoxy-1H-indole-2-carboxamide?
N-[4-amino-1-(2-hydroxyethyl)naphthalen-2-yl]-5,6,7-trimethoxy-1H-indole-2-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 3.72, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-1-(2-hydroxyethyl)naphthalen-2-yl]-5,6,7-trimethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 11293471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).