N-[(2-aminoquinazolin-6-yl)methyl]-1-ethylindole-5-carboxamide

C20H19N5O — CID 172623119

IUPACN-[(2-aminoquinazolin-6-yl)methyl]-1-ethylindole-5-carboxamide
SMILESCCn1ccc2cc(C(=O)NCc3ccc4nc(N)ncc4c3)ccc21
InChIInChI=1S/C20H19N5O/c1-2-25-8-7-14-10-15(4-6-18(14)25)19(26)22-11-13-3-5-17-16(9-13)12-23-20(21)24-17/h3-10,12H,2,11H2,1H3,(H,22,26)(H2,21,23,24)
InChIKeyPNYAJTCTIWLTKH-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.12
Rot. Bonds4

About N-[(2-aminoquinazolin-6-yl)methyl]-1-ethylindole-5-carboxamide

N-[(2-aminoquinazolin-6-yl)methyl]-1-ethylindole-5-carboxamide (PubChem CID 172623119) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[(2-aminoquinazolin-6-yl)methyl]-1-ethylindole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-aminoquinazolin-6-yl)methyl]-1-ethylindole-5-carboxamide
PubChem CID172623119
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-[(2-aminoquinazolin-6-yl)methyl]-1-ethylindole-5-carboxamide
SMILESCCn1ccc2cc(C(=O)NCc3ccc4nc(N)ncc4c3)ccc21
InChIInChI=1S/C20H19N5O/c1-2-25-8-7-14-10-15(4-6-18(14)25)19(26)22-11-13-3-5-17-16(9-13)12-23-20(21)24-17/h3-10,12H,2,11H2,1H3,(H,22,26)(H2,21,23,24)
InChIKeyPNYAJTCTIWLTKH-UHFFFAOYSA-N
XLogP3.12
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-aminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide
CID 172623172
N-[(2-aminoquinazolin-7-yl)methyl]benzamide
CID 172623023
N-[(3-aminoisoquinolin-6-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-2-carboxamide
CID 172622963
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-ethylindole-5-carboxamide
CID 77085920
N-[(2,4-diaminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide
CID 172623319
9-methyl-N-[[3-(methylamino)isoquinolin-7-yl]methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 172623284
1-(1-ethylindol-5-yl)butan-1-one
CID 71284644
N-(1,3-benzodioxol-5-ylmethyl)-3-(1-ethylindol-5-yl)propanamide
CID 71840842
1-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]indole-5-carboxamide
CID 71703823
N-[(4-ethylsulfonylphenyl)methyl]-1-[(2-methylphenyl)methyl]indole-5-carboxamide
CID 156703131
N-[(1-propylbenzimidazol-5-yl)methyl]-4-(trifluoromethyl)benzamide
CID 50844722
1-ethyl-N-[2-[(3S)-oxolan-3-yl]ethyl]indole-5-carboxamide
CID 125442573

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminoquinazolin-6-yl)methyl]-1-ethylindole-5-carboxamide?
The IUPAC name of N-[(2-aminoquinazolin-6-yl)methyl]-1-ethylindole-5-carboxamide (CID 172623119) is N-[(2-aminoquinazolin-6-yl)methyl]-1-ethylindole-5-carboxamide.
What is the SMILES notation for N-[(2-aminoquinazolin-6-yl)methyl]-1-ethylindole-5-carboxamide?
The canonical SMILES for N-[(2-aminoquinazolin-6-yl)methyl]-1-ethylindole-5-carboxamide is CCn1ccc2cc(C(=O)NCc3ccc4nc(N)ncc4c3)ccc21.
What is the InChIKey of N-[(2-aminoquinazolin-6-yl)methyl]-1-ethylindole-5-carboxamide?
The InChIKey is PNYAJTCTIWLTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-2-25-8-7-14-10-15(4-6-18(14)25)19(26)22-11-13-3-5-17-16(9-13)12-23-20(21)24-17/h3-10,12H,2,11H2,1H3,(H,22,26)(H2,21,23,24).
What are the key properties of N-[(2-aminoquinazolin-6-yl)methyl]-1-ethylindole-5-carboxamide?
N-[(2-aminoquinazolin-6-yl)methyl]-1-ethylindole-5-carboxamide has a molecular weight of 345.41 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminoquinazolin-6-yl)methyl]-1-ethylindole-5-carboxamide is sourced from PubChem (CID 172623119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).