2-[2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-7-chloro-1,4-dihydroquinazoline

C30H25ClN2O2 — CID 173220691

IUPAC2-[2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-7-chloro-1,4-dihydroquinazoline
SMILESClc1ccc2c(c1)NC(C=Cc1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)=NC2
InChIInChI=1S/C30H25ClN2O2/c31-26-14-13-25-19-32-30(33-27(25)18-26)16-12-22-11-15-28(34-20-23-7-3-1-4-8-23)29(17-22)35-21-24-9-5-2-6-10-24/h1-18H,19-21H2,(H,32,33)
InChIKeyIKASJSGJWWKOGM-UHFFFAOYSA-N
MW481.00 g/mol
LogP7.54
Rot. Bonds8

About 2-[2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-7-chloro-1,4-dihydroquinazoline

2-[2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-7-chloro-1,4-dihydroquinazoline (PubChem CID 173220691) has the molecular formula C30H25ClN2O2 and a molecular weight of 481.00 g/mol. Its IUPAC name is 2-[2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-7-chloro-1,4-dihydroquinazoline.

Molecular Properties

Compound Name2-[2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-7-chloro-1,4-dihydroquinazoline
PubChem CID173220691
Molecular FormulaC30H25ClN2O2
Molecular Weight481.00 g/mol
Exact Mass480.16
IUPAC Name2-[2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-7-chloro-1,4-dihydroquinazoline
SMILESClc1ccc2c(c1)NC(C=Cc1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)=NC2
InChIInChI=1S/C30H25ClN2O2/c31-26-14-13-25-19-32-30(33-27(25)18-26)16-12-22-11-15-28(34-20-23-7-3-1-4-8-23)29(17-22)35-21-24-9-5-2-6-10-24/h1-18H,19-21H2,(H,32,33)
InChIKeyIKASJSGJWWKOGM-UHFFFAOYSA-N
XLogP7.54
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.00
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene
CID 101267905
4-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-2-[4-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]pyridin-1-ium-2-yl]pyridine
CID 23928621
1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
CID 90367929
(E)-6-[3,4-bis(phenylmethoxy)phenyl]-3-methylhex-5-ene-2,4-dione
CID 123400181
(Z)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 2478599
3-(5-chloro-2-phenylmethoxyphenoxy)azetidine
CID 58405156
7-chloro-N-[2-(2-chlorophenoxy)ethyl]-1,4-dihydroquinazolin-2-amine
CID 58751941
5-[(E)-2-(4-ethoxy-3-phenylmethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 166666310
2-methoxy-4-(2-methoxyethenyl)-1-phenylmethoxybenzene
CID 54126247
3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol
CID 169454327
1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride
CID 172689166

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-7-chloro-1,4-dihydroquinazoline?
The IUPAC name of 2-[2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-7-chloro-1,4-dihydroquinazoline (CID 173220691) is 2-[2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-7-chloro-1,4-dihydroquinazoline.
What is the SMILES notation for 2-[2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-7-chloro-1,4-dihydroquinazoline?
The canonical SMILES for 2-[2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-7-chloro-1,4-dihydroquinazoline is Clc1ccc2c(c1)NC(C=Cc1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)=NC2.
What is the InChIKey of 2-[2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-7-chloro-1,4-dihydroquinazoline?
The InChIKey is IKASJSGJWWKOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClN2O2/c31-26-14-13-25-19-32-30(33-27(25)18-26)16-12-22-11-15-28(34-20-23-7-3-1-4-8-23)29(17-22)35-21-24-9-5-2-6-10-24/h1-18H,19-21H2,(H,32,33).
What are the key properties of 2-[2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-7-chloro-1,4-dihydroquinazoline?
2-[2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-7-chloro-1,4-dihydroquinazoline has a molecular weight of 481.00 g/mol, XLogP of 7.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-7-chloro-1,4-dihydroquinazoline is sourced from PubChem (CID 173220691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).