1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindol-6-amine

C18H18N4O2 — CID 54313644

IUPAC1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindol-6-amine
SMILESCOc1cc2ncnc(N3CCc4ccc(N)cc43)c2cc1OC
InChIInChI=1S/C18H18N4O2/c1-23-16-8-13-14(9-17(16)24-2)20-10-21-18(13)22-6-5-11-3-4-12(19)7-15(11)22/h3-4,7-10H,5-6,19H2,1-2H3
InChIKeySMPZDXOYPKEJKL-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.92
Rot. Bonds3

About 1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindol-6-amine

1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindol-6-amine (PubChem CID 54313644) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindol-6-amine
PubChem CID54313644
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindol-6-amine
SMILESCOc1cc2ncnc(N3CCc4ccc(N)cc43)c2cc1OC
InChIInChI=1S/C18H18N4O2/c1-23-16-8-13-14(9-17(16)24-2)20-10-21-18(13)22-6-5-11-3-4-12(19)7-15(11)22/h3-4,7-10H,5-6,19H2,1-2H3
InChIKeySMPZDXOYPKEJKL-UHFFFAOYSA-N
XLogP2.92
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;ethane
CID 143095921
4-(5-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline
CID 18932856
4-(3,4-dihydro-2H-quinolin-1-yl)-6,7-dimethoxyquinazoline;hydrochloride
CID 18770804
2-[4-(6-chloro-2,3-dihydroindol-1-yl)-6-methoxyquinazolin-7-yl]oxyacetic acid
CID 18932750
6,7-dimethoxy-4-(5-methoxy-2,3-dihydroindol-1-yl)quinazoline;methanesulfonic acid
CID 86752367
4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-amine;hydrochloride
CID 18932794
4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethylquinazoline
CID 18932855
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline
CID 21002947
4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline;N-(1H-indol-5-yl)-6,7-dimethoxyquinazolin-4-amine
CID 161114097
4-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)-6-methoxy-7-(2-methoxyethoxy)quinazoline
CID 67759960
acetic acid;2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 143413817
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindol-6-amine?
The IUPAC name of 1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindol-6-amine (CID 54313644) is 1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindol-6-amine is COc1cc2ncnc(N3CCc4ccc(N)cc43)c2cc1OC.
What is the InChIKey of 1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindol-6-amine?
The InChIKey is SMPZDXOYPKEJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-23-16-8-13-14(9-17(16)24-2)20-10-21-18(13)22-6-5-11-3-4-12(19)7-15(11)22/h3-4,7-10H,5-6,19H2,1-2H3.
What are the key properties of 1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindol-6-amine?
1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindol-6-amine has a molecular weight of 322.37 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindol-6-amine is sourced from PubChem (CID 54313644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).