8-fluoro-2-[(4-methylpiperazin-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione

C21H19FN4O2 — CID 91758737

IUPAC8-fluoro-2-[(4-methylpiperazin-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione
SMILESCN1CCN(Cc2ccc3nc4n(c(=O)c3c2)-c2ccc(F)cc2C4=O)CC1
InChIInChI=1S/C21H19FN4O2/c1-24-6-8-25(9-7-24)12-13-2-4-17-15(10-13)21(28)26-18-5-3-14(22)11-16(18)19(27)20(26)23-17/h2-5,10-11H,6-9,12H2,1H3
InChIKeyGJCZYPVNSMSOLT-UHFFFAOYSA-N
MW378.41 g/mol
LogP1.82
Rot. Bonds2

About 8-fluoro-2-[(4-methylpiperazin-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione

8-fluoro-2-[(4-methylpiperazin-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione (PubChem CID 91758737) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 8-fluoro-2-[(4-methylpiperazin-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione.

Molecular Properties

Compound Name8-fluoro-2-[(4-methylpiperazin-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione
PubChem CID91758737
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name8-fluoro-2-[(4-methylpiperazin-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione
SMILESCN1CCN(Cc2ccc3nc4n(c(=O)c3c2)-c2ccc(F)cc2C4=O)CC1
InChIInChI=1S/C21H19FN4O2/c1-24-6-8-25(9-7-24)12-13-2-4-17-15(10-13)21(28)26-18-5-3-14(22)11-16(18)19(27)20(26)23-17/h2-5,10-11H,6-9,12H2,1H3
InChIKeyGJCZYPVNSMSOLT-UHFFFAOYSA-N
XLogP1.82
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-[(4-methylpiperazin-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione?
The IUPAC name of 8-fluoro-2-[(4-methylpiperazin-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione (CID 91758737) is 8-fluoro-2-[(4-methylpiperazin-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione.
What is the SMILES notation for 8-fluoro-2-[(4-methylpiperazin-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione?
The canonical SMILES for 8-fluoro-2-[(4-methylpiperazin-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione is CN1CCN(Cc2ccc3nc4n(c(=O)c3c2)-c2ccc(F)cc2C4=O)CC1.
What is the InChIKey of 8-fluoro-2-[(4-methylpiperazin-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione?
The InChIKey is GJCZYPVNSMSOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-24-6-8-25(9-7-24)12-13-2-4-17-15(10-13)21(28)26-18-5-3-14(22)11-16(18)19(27)20(26)23-17/h2-5,10-11H,6-9,12H2,1H3.
What are the key properties of 8-fluoro-2-[(4-methylpiperazin-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione?
8-fluoro-2-[(4-methylpiperazin-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione has a molecular weight of 378.41 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-[(4-methylpiperazin-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione is sourced from PubChem (CID 91758737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).