4-chloro-6-methoxy-7-(pyridin-3-ylmethoxy)quinazoline

C15H12ClN3O2 — CID 118112032

IUPAC4-chloro-6-methoxy-7-(pyridin-3-ylmethoxy)quinazoline
SMILESCOc1cc2c(Cl)ncnc2cc1OCc1cccnc1
InChIInChI=1S/C15H12ClN3O2/c1-20-13-5-11-12(18-9-19-15(11)16)6-14(13)21-8-10-3-2-4-17-7-10/h2-7,9H,8H2,1H3
InChIKeyDKKSRQWECKEGAE-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.27
Rot. Bonds4

About 4-chloro-6-methoxy-7-(pyridin-3-ylmethoxy)quinazoline

4-chloro-6-methoxy-7-(pyridin-3-ylmethoxy)quinazoline (PubChem CID 118112032) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 4-chloro-6-methoxy-7-(pyridin-3-ylmethoxy)quinazoline.

Molecular Properties

Compound Name4-chloro-6-methoxy-7-(pyridin-3-ylmethoxy)quinazoline
PubChem CID118112032
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name4-chloro-6-methoxy-7-(pyridin-3-ylmethoxy)quinazoline
SMILESCOc1cc2c(Cl)ncnc2cc1OCc1cccnc1
InChIInChI=1S/C15H12ClN3O2/c1-20-13-5-11-12(18-9-19-15(11)16)6-14(13)21-8-10-3-2-4-17-7-10/h2-7,9H,8H2,1H3
InChIKeyDKKSRQWECKEGAE-UHFFFAOYSA-N
XLogP3.27
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998
4-chloro-7-(3-chloropropoxy)-6-methoxyquinazoline
CID 57447227
7-(2-bromoethoxy)-4-chloro-6-methoxyquinazoline
CID 86761073
4-chloro-7-methoxy-6-prop-2-ynoxyquinazoline
CID 87139152
[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol
CID 28562159
[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 43122520
3-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyridine
CID 43324725
[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine;hydrochloride
CID 42892412
4-chloro-6-methoxy-7-phenylmethoxyquinolin-3-amine;ethane
CID 177004461
1-[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 43278584
N'-hydroxy-3-methoxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 24706507
4-chloro-3-isocyano-7-methoxy-6-phenylmethoxyquinoline
CID 155636883

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-7-(pyridin-3-ylmethoxy)quinazoline?
The IUPAC name of 4-chloro-6-methoxy-7-(pyridin-3-ylmethoxy)quinazoline (CID 118112032) is 4-chloro-6-methoxy-7-(pyridin-3-ylmethoxy)quinazoline.
What is the SMILES notation for 4-chloro-6-methoxy-7-(pyridin-3-ylmethoxy)quinazoline?
The canonical SMILES for 4-chloro-6-methoxy-7-(pyridin-3-ylmethoxy)quinazoline is COc1cc2c(Cl)ncnc2cc1OCc1cccnc1.
What is the InChIKey of 4-chloro-6-methoxy-7-(pyridin-3-ylmethoxy)quinazoline?
The InChIKey is DKKSRQWECKEGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-20-13-5-11-12(18-9-19-15(11)16)6-14(13)21-8-10-3-2-4-17-7-10/h2-7,9H,8H2,1H3.
What are the key properties of 4-chloro-6-methoxy-7-(pyridin-3-ylmethoxy)quinazoline?
4-chloro-6-methoxy-7-(pyridin-3-ylmethoxy)quinazoline has a molecular weight of 301.73 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-7-(pyridin-3-ylmethoxy)quinazoline is sourced from PubChem (CID 118112032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).