8-[(1H-indazol-5-ylamino)methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

C19H16N4O3 — CID 46958621

IUPAC8-[(1H-indazol-5-ylamino)methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESO=c1[nH]c2cc3c(cc2cc1CNc1ccc2[nH]ncc2c1)OCCO3
InChIInChI=1S/C19H16N4O3/c24-19-13(9-20-14-1-2-15-12(6-14)10-21-23-15)5-11-7-17-18(8-16(11)22-19)26-4-3-25-17/h1-2,5-8,10,20H,3-4,9H2,(H,21,23)(H,22,24)
InChIKeyISAAHIXYNWQIAF-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.79
Rot. Bonds3

About 8-[(1H-indazol-5-ylamino)methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

8-[(1H-indazol-5-ylamino)methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (PubChem CID 46958621) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 8-[(1H-indazol-5-ylamino)methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.

Molecular Properties

Compound Name8-[(1H-indazol-5-ylamino)methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
PubChem CID46958621
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name8-[(1H-indazol-5-ylamino)methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESO=c1[nH]c2cc3c(cc2cc1CNc1ccc2[nH]ncc2c1)OCCO3
InChIInChI=1S/C19H16N4O3/c24-19-13(9-20-14-1-2-15-12(6-14)10-21-23-15)5-11-7-17-18(8-16(11)22-19)26-4-3-25-17/h1-2,5-8,10,20H,3-4,9H2,(H,21,23)(H,22,24)
InChIKeyISAAHIXYNWQIAF-UHFFFAOYSA-N
XLogP2.79
TPSA92.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 8-[(1H-indazol-5-ylamino)methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one with MolForge

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Related Compounds

8-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 23857776
6-chloro-3-[(1H-indazol-6-ylamino)methyl]-1H-quinolin-2-one
CID 122637226
3-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-6-methoxy-1H-quinolin-2-one
CID 856569
N-[(2,4,5-trimethylphenyl)methyl]-1H-indazol-5-amine
CID 43782695
N-(anthracen-9-ylmethyl)-1H-indazol-5-amine
CID 784305
1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-3-phenylurea
CID 110325097
3-[(1,3-benzodioxol-5-ylamino)methyl]-6-propyl-1H-quinolin-2-one
CID 95855587
6-chloro-3-[[(3-oxo-1H-2-benzofuran-5-yl)amino]methyl]-1H-quinolin-2-one
CID 122637068
7-[[4-(3-methylpiperidin-1-yl)anilino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 43817704
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1H-indazol-5-amine
CID 23734124
benzyl N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]carbamate
CID 110325114
N-[(4-chloro-2-methylphenyl)methyl]-1H-indazol-5-amine
CID 104854338

Frequently Asked Questions

What is the IUPAC name of 8-[(1H-indazol-5-ylamino)methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The IUPAC name of 8-[(1H-indazol-5-ylamino)methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (CID 46958621) is 8-[(1H-indazol-5-ylamino)methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.
What is the SMILES notation for 8-[(1H-indazol-5-ylamino)methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The canonical SMILES for 8-[(1H-indazol-5-ylamino)methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is O=c1[nH]c2cc3c(cc2cc1CNc1ccc2[nH]ncc2c1)OCCO3.
What is the InChIKey of 8-[(1H-indazol-5-ylamino)methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The InChIKey is ISAAHIXYNWQIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c24-19-13(9-20-14-1-2-15-12(6-14)10-21-23-15)5-11-7-17-18(8-16(11)22-19)26-4-3-25-17/h1-2,5-8,10,20H,3-4,9H2,(H,21,23)(H,22,24).
What are the key properties of 8-[(1H-indazol-5-ylamino)methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
8-[(1H-indazol-5-ylamino)methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one has a molecular weight of 348.36 g/mol, XLogP of 2.79, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1H-indazol-5-ylamino)methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is sourced from PubChem (CID 46958621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).