3-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-6,7-dimethoxy-1H-quinazoline-2,4-dione

C20H20ClN3O6 — CID 6218988

IUPAC3-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-6,7-dimethoxy-1H-quinazoline-2,4-dione
SMILESCCOc1c(Cl)cc(/C=N\n2c(=O)[nH]c3cc(OC)c(OC)cc3c2=O)cc1OC
InChIInChI=1S/C20H20ClN3O6/c1-5-30-18-13(21)6-11(7-17(18)29-4)10-22-24-19(25)12-8-15(27-2)16(28-3)9-14(12)23-20(24)26/h6-10H,5H2,1-4H3,(H,23,26)/b22-10-
InChIKeyDIVHYRCAGDHDMQ-YVNNLAQVSA-N
MW433.85 g/mol
LogP2.65
Rot. Bonds7

About 3-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-6,7-dimethoxy-1H-quinazoline-2,4-dione

3-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-6,7-dimethoxy-1H-quinazoline-2,4-dione (PubChem CID 6218988) has the molecular formula C20H20ClN3O6 and a molecular weight of 433.85 g/mol. Its IUPAC name is 3-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-6,7-dimethoxy-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-6,7-dimethoxy-1H-quinazoline-2,4-dione
PubChem CID6218988
Molecular FormulaC20H20ClN3O6
Molecular Weight433.85 g/mol
Exact Mass433.10
IUPAC Name3-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-6,7-dimethoxy-1H-quinazoline-2,4-dione
SMILESCCOc1c(Cl)cc(/C=N\n2c(=O)[nH]c3cc(OC)c(OC)cc3c2=O)cc1OC
InChIInChI=1S/C20H20ClN3O6/c1-5-30-18-13(21)6-11(7-17(18)29-4)10-22-24-19(25)12-8-15(27-2)16(28-3)9-14(12)23-20(24)26/h6-10H,5H2,1-4H3,(H,23,26)/b22-10-
InChIKeyDIVHYRCAGDHDMQ-YVNNLAQVSA-N
XLogP2.65
TPSA104.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.85
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[[4-[(4-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]methylideneamino]-1H-quinazoline-2,4-dione
CID 126347567
1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 23351963
3-[[4-[(2-chlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylideneamino]-1H-quinazoline-2,4-dione
CID 4240089
3-[(4-butan-2-yloxy-3-chloro-5-ethoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 4563482
3-[[4-[(4-chlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylideneamino]-1H-quinazoline-2,4-dione
CID 3654828
3-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 5137683
3-[[4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-1H-quinazoline-2,4-dione
CID 126351723
6-bromo-3-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-propan-2-ylquinazolin-4-one
CID 126302117
2-[2-chloro-4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 126371064
2-[2,6-dichloro-4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]phenoxy]acetonitrile
CID 3515353
methyl 2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2,6-dimethoxyphenoxy]acetate
CID 4224449
methyl 2-[2-bromo-6-chloro-4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]phenoxy]acetate
CID 4567657

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-6,7-dimethoxy-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-6,7-dimethoxy-1H-quinazoline-2,4-dione (CID 6218988) is 3-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-6,7-dimethoxy-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-6,7-dimethoxy-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-6,7-dimethoxy-1H-quinazoline-2,4-dione is CCOc1c(Cl)cc(/C=N\n2c(=O)[nH]c3cc(OC)c(OC)cc3c2=O)cc1OC.
What is the InChIKey of 3-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-6,7-dimethoxy-1H-quinazoline-2,4-dione?
The InChIKey is DIVHYRCAGDHDMQ-YVNNLAQVSA-N. The full InChI is InChI=1S/C20H20ClN3O6/c1-5-30-18-13(21)6-11(7-17(18)29-4)10-22-24-19(25)12-8-15(27-2)16(28-3)9-14(12)23-20(24)26/h6-10H,5H2,1-4H3,(H,23,26)/b22-10-.
What are the key properties of 3-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-6,7-dimethoxy-1H-quinazoline-2,4-dione?
3-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-6,7-dimethoxy-1H-quinazoline-2,4-dione has a molecular weight of 433.85 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-6,7-dimethoxy-1H-quinazoline-2,4-dione is sourced from PubChem (CID 6218988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).