7-(2-hydroxyethylamino)indolo[2,1-b]quinazoline-6,12-dione

C17H13N3O3 — CID 162659237

IUPAC7-(2-hydroxyethylamino)indolo[2,1-b]quinazoline-6,12-dione
SMILESO=C1c2c(NCCO)cccc2-n2c1nc1ccccc1c2=O
InChIInChI=1S/C17H13N3O3/c21-9-8-18-12-6-3-7-13-14(12)15(22)16-19-11-5-2-1-4-10(11)17(23)20(13)16/h1-7,18,21H,8-9H2
InChIKeyWCEKQBSYSRGMNO-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.33
Rot. Bonds3

About 7-(2-hydroxyethylamino)indolo[2,1-b]quinazoline-6,12-dione

7-(2-hydroxyethylamino)indolo[2,1-b]quinazoline-6,12-dione (PubChem CID 162659237) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 7-(2-hydroxyethylamino)indolo[2,1-b]quinazoline-6,12-dione.

Molecular Properties

Compound Name7-(2-hydroxyethylamino)indolo[2,1-b]quinazoline-6,12-dione
PubChem CID162659237
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name7-(2-hydroxyethylamino)indolo[2,1-b]quinazoline-6,12-dione
SMILESO=C1c2c(NCCO)cccc2-n2c1nc1ccccc1c2=O
InChIInChI=1S/C17H13N3O3/c21-9-8-18-12-6-3-7-13-14(12)15(22)16-19-11-5-2-1-4-10(11)17(23)20(13)16/h1-7,18,21H,8-9H2
InChIKeyWCEKQBSYSRGMNO-UHFFFAOYSA-N
XLogP1.33
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

9-(3-aminopropylamino)-8-fluoroindolo[2,1-b]quinazoline-6,12-dione
CID 16725906
3-(2-hydroxyethyl)-2-phenylquinazolin-4-one
CID 854542
2-(2-chlorophenyl)-3-(2-hydroxyphenyl)quinazolin-4-one
CID 716325
2-phenyl-3-quinolin-5-ylquinazolin-4-one
CID 12722024
2-[(2-phenylquinolin-4-yl)amino]ethanol;hydrochloride
CID 18432992
2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide
CID 16531355
2-[4-(2-hydroxyethylamino)-2-methylquinolin-3-yl]acetic acid
CID 110432578
N-(2-hydroxyethyl)-3-methyl-4-oxoquinazoline-2-carboxamide
CID 39377679
2-(4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
CID 122540146
3-(2-chloro-3-pyridinyl)-2-phenylquinazolin-4-one
CID 134092940
3-(2-hydroxyethyl)-2-[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]ethyl]quinazolin-4-one
CID 139233007
3-(4-hydroxy-2-methylphenyl)-2-methylquinazolin-4-one
CID 21143

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxyethylamino)indolo[2,1-b]quinazoline-6,12-dione?
The IUPAC name of 7-(2-hydroxyethylamino)indolo[2,1-b]quinazoline-6,12-dione (CID 162659237) is 7-(2-hydroxyethylamino)indolo[2,1-b]quinazoline-6,12-dione.
What is the SMILES notation for 7-(2-hydroxyethylamino)indolo[2,1-b]quinazoline-6,12-dione?
The canonical SMILES for 7-(2-hydroxyethylamino)indolo[2,1-b]quinazoline-6,12-dione is O=C1c2c(NCCO)cccc2-n2c1nc1ccccc1c2=O.
What is the InChIKey of 7-(2-hydroxyethylamino)indolo[2,1-b]quinazoline-6,12-dione?
The InChIKey is WCEKQBSYSRGMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c21-9-8-18-12-6-3-7-13-14(12)15(22)16-19-11-5-2-1-4-10(11)17(23)20(13)16/h1-7,18,21H,8-9H2.
What are the key properties of 7-(2-hydroxyethylamino)indolo[2,1-b]quinazoline-6,12-dione?
7-(2-hydroxyethylamino)indolo[2,1-b]quinazoline-6,12-dione has a molecular weight of 307.31 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxyethylamino)indolo[2,1-b]quinazoline-6,12-dione is sourced from PubChem (CID 162659237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).