4-chloro-6,7-dimethoxy-2-[(E)-2-phenylethenyl]quinazoline

C18H15ClN2O2 — CID 139921672

IUPAC4-chloro-6,7-dimethoxy-2-[(E)-2-phenylethenyl]quinazoline
SMILESCOc1cc2nc(/C=C/c3ccccc3)nc(Cl)c2cc1OC
InChIInChI=1S/C18H15ClN2O2/c1-22-15-10-13-14(11-16(15)23-2)20-17(21-18(13)19)9-8-12-6-4-3-5-7-12/h3-11H,1-2H3/b9-8+
InChIKeyIOHRFSQWIFBNRL-CMDGGOBGSA-N
MW326.78 g/mol
LogP4.47
Rot. Bonds4

About 4-chloro-6,7-dimethoxy-2-[(E)-2-phenylethenyl]quinazoline

4-chloro-6,7-dimethoxy-2-[(E)-2-phenylethenyl]quinazoline (PubChem CID 139921672) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 4-chloro-6,7-dimethoxy-2-[(E)-2-phenylethenyl]quinazoline.

Molecular Properties

Compound Name4-chloro-6,7-dimethoxy-2-[(E)-2-phenylethenyl]quinazoline
PubChem CID139921672
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name4-chloro-6,7-dimethoxy-2-[(E)-2-phenylethenyl]quinazoline
SMILESCOc1cc2nc(/C=C/c3ccccc3)nc(Cl)c2cc1OC
InChIInChI=1S/C18H15ClN2O2/c1-22-15-10-13-14(11-16(15)23-2)20-17(21-18(13)19)9-8-12-6-4-3-5-7-12/h3-11H,1-2H3/b9-8+
InChIKeyIOHRFSQWIFBNRL-CMDGGOBGSA-N
XLogP4.47
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dibutyl-4-[(E)-2-(4-chloro-6,7-dimethoxyquinazolin-2-yl)ethenyl]aniline
CID 139921643
2,4-dimethoxy-6-(2-phenylethenyl)-1,3,5-triazine
CID 86053148
4-chloro-6,7-dimethoxy-2-methylsulfanylquinazoline
CID 114693063
4-chloro-6,7-dimethoxy-2-(3-methoxyphenyl)quinazoline
CID 57328585
8-chloro-6-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-[1,3]dioxolo[4,5-g]quinazoline
CID 139921662
4-chloro-6,7-dimethoxy-2-(trifluoromethyl)quinazoline
CID 22693550
2-[5,6-dimethoxy-2-[(E)-2-phenylethenyl]benzimidazol-1-yl]ethanol
CID 82149384
4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline
CID 15284500
4-chloro-2-(2-chloroethyl)-6,7-dimethoxyquinazoline
CID 90236933
2-[4-amino-6-chloro-2-(2-phenylethenyl)pyrimidin-5-yl]oxybutanoic acid
CID 173113175
[4-[(E)-2-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)ethenyl]phenyl]methanol
CID 139921676
9-chloro-2,3-dimethoxy-7-methylacridine
CID 19749412

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,7-dimethoxy-2-[(E)-2-phenylethenyl]quinazoline?
The IUPAC name of 4-chloro-6,7-dimethoxy-2-[(E)-2-phenylethenyl]quinazoline (CID 139921672) is 4-chloro-6,7-dimethoxy-2-[(E)-2-phenylethenyl]quinazoline.
What is the SMILES notation for 4-chloro-6,7-dimethoxy-2-[(E)-2-phenylethenyl]quinazoline?
The canonical SMILES for 4-chloro-6,7-dimethoxy-2-[(E)-2-phenylethenyl]quinazoline is COc1cc2nc(/C=C/c3ccccc3)nc(Cl)c2cc1OC.
What is the InChIKey of 4-chloro-6,7-dimethoxy-2-[(E)-2-phenylethenyl]quinazoline?
The InChIKey is IOHRFSQWIFBNRL-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-22-15-10-13-14(11-16(15)23-2)20-17(21-18(13)19)9-8-12-6-4-3-5-7-12/h3-11H,1-2H3/b9-8+.
What are the key properties of 4-chloro-6,7-dimethoxy-2-[(E)-2-phenylethenyl]quinazoline?
4-chloro-6,7-dimethoxy-2-[(E)-2-phenylethenyl]quinazoline has a molecular weight of 326.78 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,7-dimethoxy-2-[(E)-2-phenylethenyl]quinazoline is sourced from PubChem (CID 139921672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).