2-[[2-imino-1-methanimidoyl-4-(N-methylanilino)quinazolin-7-yl]amino]ethanol

C18H20N6O — CID 156557084

IUPAC2-[[2-imino-1-methanimidoyl-4-(N-methylanilino)quinazolin-7-yl]amino]ethanol
SMILES[H]/N=C/n1/c(=N/[H])nc(N(C)c2ccccc2)c2ccc(NCCO)cc21
InChIInChI=1S/C18H20N6O/c1-23(14-5-3-2-4-6-14)17-15-8-7-13(21-9-10-25)11-16(15)24(12-19)18(20)22-17/h2-8,11-12,19-21,25H,9-10H2,1H3/b19-12+,20-18+
InChIKeyAVZRHZJYGUHZNN-WMNPJARVSA-N
MW336.40 g/mol
LogP2.14
Rot. Bonds6

About 2-[[2-imino-1-methanimidoyl-4-(N-methylanilino)quinazolin-7-yl]amino]ethanol

2-[[2-imino-1-methanimidoyl-4-(N-methylanilino)quinazolin-7-yl]amino]ethanol (PubChem CID 156557084) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[[2-imino-1-methanimidoyl-4-(N-methylanilino)quinazolin-7-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-imino-1-methanimidoyl-4-(N-methylanilino)quinazolin-7-yl]amino]ethanol
PubChem CID156557084
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name2-[[2-imino-1-methanimidoyl-4-(N-methylanilino)quinazolin-7-yl]amino]ethanol
SMILES[H]/N=C/n1/c(=N/[H])nc(N(C)c2ccccc2)c2ccc(NCCO)cc21
InChIInChI=1S/C18H20N6O/c1-23(14-5-3-2-4-6-14)17-15-8-7-13(21-9-10-25)11-16(15)24(12-19)18(20)22-17/h2-8,11-12,19-21,25H,9-10H2,1H3/b19-12+,20-18+
InChIKeyAVZRHZJYGUHZNN-WMNPJARVSA-N
XLogP2.14
TPSA101.02 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[2-imino-1-methanimidoyl-4-(N-methylanilino)quinazolin-7-yl]prop-2-yn-1-ol
CID 165380711
2-imino-1-methanimidoyl-7-methoxy-N-methyl-N-phenylquinazolin-4-amine
CID 156557254
7-ethynyl-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine
CID 165380547
2-imino-1-methanimidoyl-N-methyl-N-phenyl-7-(2-phenylethynyl)quinazolin-4-amine
CID 165380633
6-fluoro-2-imino-1-methanimidoyl-4-N,7-N,7-N-trimethyl-4-N-phenylquinazoline-4,7-diamine
CID 165380268
2-imino-1-methanimidoyl-4-N-methyl-4-N-(3-phenylphenyl)quinazoline-4,7-diamine
CID 156800502
2-imino-1-methanimidoyl-N-methyl-N-phenyl-6-pyridin-4-ylquinazolin-4-amine
CID 156557085
5-bromo-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine
CID 156557082
7-bromo-N-[3-(4-tert-butylphenyl)phenyl]-2-imino-1-methanimidoyl-N-methylquinazolin-4-amine
CID 165380279
2-imino-1-methanimidoyl-8-methoxy-N-methyl-N-phenylquinazolin-4-amine
CID 165380349
7-chloro-2-imino-1-methanimidoyl-N-methyl-N-[3-(4-propan-2-ylphenyl)phenyl]quinazolin-4-amine
CID 165380685
7-chloro-N-[3-(2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-2-imino-1-methanimidoyl-N-methylquinazolin-4-amine
CID 165380695

Frequently Asked Questions

What is the IUPAC name of 2-[[2-imino-1-methanimidoyl-4-(N-methylanilino)quinazolin-7-yl]amino]ethanol?
The IUPAC name of 2-[[2-imino-1-methanimidoyl-4-(N-methylanilino)quinazolin-7-yl]amino]ethanol (CID 156557084) is 2-[[2-imino-1-methanimidoyl-4-(N-methylanilino)quinazolin-7-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-imino-1-methanimidoyl-4-(N-methylanilino)quinazolin-7-yl]amino]ethanol?
The canonical SMILES for 2-[[2-imino-1-methanimidoyl-4-(N-methylanilino)quinazolin-7-yl]amino]ethanol is [H]/N=C/n1/c(=N/[H])nc(N(C)c2ccccc2)c2ccc(NCCO)cc21.
What is the InChIKey of 2-[[2-imino-1-methanimidoyl-4-(N-methylanilino)quinazolin-7-yl]amino]ethanol?
The InChIKey is AVZRHZJYGUHZNN-WMNPJARVSA-N. The full InChI is InChI=1S/C18H20N6O/c1-23(14-5-3-2-4-6-14)17-15-8-7-13(21-9-10-25)11-16(15)24(12-19)18(20)22-17/h2-8,11-12,19-21,25H,9-10H2,1H3/b19-12+,20-18+.
What are the key properties of 2-[[2-imino-1-methanimidoyl-4-(N-methylanilino)quinazolin-7-yl]amino]ethanol?
2-[[2-imino-1-methanimidoyl-4-(N-methylanilino)quinazolin-7-yl]amino]ethanol has a molecular weight of 336.40 g/mol, XLogP of 2.14, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-imino-1-methanimidoyl-4-(N-methylanilino)quinazolin-7-yl]amino]ethanol is sourced from PubChem (CID 156557084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).