4-[(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)amino]benzenesulfonamide

C19H18N4O3S — CID 46871628

IUPAC4-[(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)amino]benzenesulfonamide
SMILESCOc1ccc2c(c1)CCc1cnc(Nc3ccc(S(N)(=O)=O)cc3)nc1-2
InChIInChI=1S/C19H18N4O3S/c1-26-15-6-9-17-12(10-15)2-3-13-11-21-19(23-18(13)17)22-14-4-7-16(8-5-14)27(20,24)25/h4-11H,2-3H2,1H3,(H2,20,24,25)(H,21,22,23)
InChIKeyLZHPQDAZPOPFGO-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.64
Rot. Bonds4

About 4-[(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)amino]benzenesulfonamide

4-[(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)amino]benzenesulfonamide (PubChem CID 46871628) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 4-[(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)amino]benzenesulfonamide
PubChem CID46871628
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name4-[(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)amino]benzenesulfonamide
SMILESCOc1ccc2c(c1)CCc1cnc(Nc3ccc(S(N)(=O)=O)cc3)nc1-2
InChIInChI=1S/C19H18N4O3S/c1-26-15-6-9-17-12(10-15)2-3-13-11-21-19(23-18(13)17)22-14-4-7-16(8-5-14)27(20,24)25/h4-11H,2-3H2,1H3,(H2,20,24,25)(H,21,22,23)
InChIKeyLZHPQDAZPOPFGO-UHFFFAOYSA-N
XLogP2.64
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)amino]benzenesulfonamide (CID 46871628) is 4-[(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)amino]benzenesulfonamide is COc1ccc2c(c1)CCc1cnc(Nc3ccc(S(N)(=O)=O)cc3)nc1-2.
What is the InChIKey of 4-[(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)amino]benzenesulfonamide?
The InChIKey is LZHPQDAZPOPFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-26-15-6-9-17-12(10-15)2-3-13-11-21-19(23-18(13)17)22-14-4-7-16(8-5-14)27(20,24)25/h4-11H,2-3H2,1H3,(H2,20,24,25)(H,21,22,23).
What are the key properties of 4-[(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)amino]benzenesulfonamide?
4-[(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)amino]benzenesulfonamide has a molecular weight of 382.45 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 46871628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).