N-[2-(1H-imidazol-5-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-amine

C16H19N5O3 — CID 18796736

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-amine
SMILESCOc1cc2c(NCCc3cnc[nH]3)ncnc2c(OC)c1OC
InChIInChI=1S/C16H19N5O3/c1-22-12-6-11-13(15(24-3)14(12)23-2)20-9-21-16(11)18-5-4-10-7-17-8-19-10/h6-9H,4-5H2,1-3H3,(H,17,19)(H,18,20,21)
InChIKeyTWUOVGUKZQWCIS-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.03
Rot. Bonds7

About N-[2-(1H-imidazol-5-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-amine

N-[2-(1H-imidazol-5-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-amine (PubChem CID 18796736) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-amine
PubChem CID18796736
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-amine
SMILESCOc1cc2c(NCCc3cnc[nH]3)ncnc2c(OC)c1OC
InChIInChI=1S/C16H19N5O3/c1-22-12-6-11-13(15(24-3)14(12)23-2)20-9-21-16(11)18-5-4-10-7-17-8-19-10/h6-9H,4-5H2,1-3H3,(H,17,19)(H,18,20,21)
InChIKeyTWUOVGUKZQWCIS-UHFFFAOYSA-N
XLogP2.03
TPSA94.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentanoic acid
CID 19605807
N-benzyl-6,7,8-trimethoxyquinazolin-4-amine
CID 18796773
N-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 11710213
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 64988465
N-[(3-fluoro-4-methoxyphenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 18796778
6,7,8-trimethoxy-N-[(4-methoxy-3-prop-2-enylphenyl)methyl]quinazolin-4-amine
CID 18796676
4-chloro-6-[2-(1H-imidazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde
CID 106195043
N-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxyquinazolin-4-amine
CID 110431423
6,7,8-trimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine
CID 18796791
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-3-methylpyridin-2-amine
CID 79718614
(E)-but-2-enedioic acid;5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentyl nitrate
CID 166639877
6,7,8-trimethoxy-4-methylquinazoline
CID 70672853

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-amine?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-amine (CID 18796736) is N-[2-(1H-imidazol-5-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-amine.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-amine?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-amine is COc1cc2c(NCCc3cnc[nH]3)ncnc2c(OC)c1OC.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-amine?
The InChIKey is TWUOVGUKZQWCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-22-12-6-11-13(15(24-3)14(12)23-2)20-9-21-16(11)18-5-4-10-7-17-8-19-10/h6-9H,4-5H2,1-3H3,(H,17,19)(H,18,20,21).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-amine?
N-[2-(1H-imidazol-5-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-amine has a molecular weight of 329.36 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-amine is sourced from PubChem (CID 18796736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).