ethyl N-[6-[(8-methylquinazolin-2-yl)amino]-1H-indol-4-yl]carbamate

C20H19N5O2 — CID 59615247

IUPACethyl N-[6-[(8-methylquinazolin-2-yl)amino]-1H-indol-4-yl]carbamate
SMILESCCOC(=O)Nc1cc(Nc2ncc3cccc(C)c3n2)cc2[nH]ccc12
InChIInChI=1S/C20H19N5O2/c1-3-27-20(26)24-17-10-14(9-16-15(17)7-8-21-16)23-19-22-11-13-6-4-5-12(2)18(13)25-19/h4-11,21H,3H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyKFSMDATVDNJYTA-UHFFFAOYSA-N
MW361.41 g/mol
LogP4.73
Rot. Bonds4

About ethyl N-[6-[(8-methylquinazolin-2-yl)amino]-1H-indol-4-yl]carbamate

ethyl N-[6-[(8-methylquinazolin-2-yl)amino]-1H-indol-4-yl]carbamate (PubChem CID 59615247) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is ethyl N-[6-[(8-methylquinazolin-2-yl)amino]-1H-indol-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-[(8-methylquinazolin-2-yl)amino]-1H-indol-4-yl]carbamate
PubChem CID59615247
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Nameethyl N-[6-[(8-methylquinazolin-2-yl)amino]-1H-indol-4-yl]carbamate
SMILESCCOC(=O)Nc1cc(Nc2ncc3cccc(C)c3n2)cc2[nH]ccc12
InChIInChI=1S/C20H19N5O2/c1-3-27-20(26)24-17-10-14(9-16-15(17)7-8-21-16)23-19-22-11-13-6-4-5-12(2)18(13)25-19/h4-11,21H,3H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyKFSMDATVDNJYTA-UHFFFAOYSA-N
XLogP4.73
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-[(8-methylquinazolin-2-yl)amino]-1H-indol-4-yl]carbamate?
The IUPAC name of ethyl N-[6-[(8-methylquinazolin-2-yl)amino]-1H-indol-4-yl]carbamate (CID 59615247) is ethyl N-[6-[(8-methylquinazolin-2-yl)amino]-1H-indol-4-yl]carbamate.
What is the SMILES notation for ethyl N-[6-[(8-methylquinazolin-2-yl)amino]-1H-indol-4-yl]carbamate?
The canonical SMILES for ethyl N-[6-[(8-methylquinazolin-2-yl)amino]-1H-indol-4-yl]carbamate is CCOC(=O)Nc1cc(Nc2ncc3cccc(C)c3n2)cc2[nH]ccc12.
What is the InChIKey of ethyl N-[6-[(8-methylquinazolin-2-yl)amino]-1H-indol-4-yl]carbamate?
The InChIKey is KFSMDATVDNJYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-3-27-20(26)24-17-10-14(9-16-15(17)7-8-21-16)23-19-22-11-13-6-4-5-12(2)18(13)25-19/h4-11,21H,3H2,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of ethyl N-[6-[(8-methylquinazolin-2-yl)amino]-1H-indol-4-yl]carbamate?
ethyl N-[6-[(8-methylquinazolin-2-yl)amino]-1H-indol-4-yl]carbamate has a molecular weight of 361.41 g/mol, XLogP of 4.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-[(8-methylquinazolin-2-yl)amino]-1H-indol-4-yl]carbamate is sourced from PubChem (CID 59615247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).