2-chloro-6-ethoxy-N-(furan-2-ylmethyl)-7-methoxyquinazolin-4-amine

C16H16ClN3O3 — CID 171562089

IUPAC2-chloro-6-ethoxy-N-(furan-2-ylmethyl)-7-methoxyquinazolin-4-amine
SMILESCCOc1cc2c(NCc3ccco3)nc(Cl)nc2cc1OC
InChIInChI=1S/C16H16ClN3O3/c1-3-22-14-7-11-12(8-13(14)21-2)19-16(17)20-15(11)18-9-10-5-4-6-23-10/h4-8H,3,9H2,1-2H3,(H,18,19,20)
InChIKeyAEMVFUBXXDWICA-UHFFFAOYSA-N
MW333.78 g/mol
LogP3.90
Rot. Bonds6

About 2-chloro-6-ethoxy-N-(furan-2-ylmethyl)-7-methoxyquinazolin-4-amine

2-chloro-6-ethoxy-N-(furan-2-ylmethyl)-7-methoxyquinazolin-4-amine (PubChem CID 171562089) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is 2-chloro-6-ethoxy-N-(furan-2-ylmethyl)-7-methoxyquinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-6-ethoxy-N-(furan-2-ylmethyl)-7-methoxyquinazolin-4-amine
PubChem CID171562089
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC Name2-chloro-6-ethoxy-N-(furan-2-ylmethyl)-7-methoxyquinazolin-4-amine
SMILESCCOc1cc2c(NCc3ccco3)nc(Cl)nc2cc1OC
InChIInChI=1S/C16H16ClN3O3/c1-3-22-14-7-11-12(8-13(14)21-2)19-16(17)20-15(11)18-9-10-5-4-6-23-10/h4-8H,3,9H2,1-2H3,(H,18,19,20)
InChIKeyAEMVFUBXXDWICA-UHFFFAOYSA-N
XLogP3.90
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxyethanol
CID 171562096
3-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxypropanoic acid
CID 171562086
2-chloro-N-(furan-2-ylmethyl)-6-methoxyquinazolin-4-amine
CID 171562066
2-chloro-6-ethoxy-7-methoxy-N-methylquinazolin-4-amine
CID 114693438
N-butyl-2-chloro-6,7-dimethoxyquinazolin-4-amine
CID 22692586
2-chloro-N-(cyclopropylmethyl)-6,7-dimethoxyquinazolin-4-amine
CID 91756722
2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol
CID 171561832
2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine
CID 7147199
6-[(2R,3S)-2-amino-3-methylpentyl]-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 164865754
6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 1158968
2,4-dichloro-6-methoxy-7-propoxyquinazoline
CID 21330888
N-(furan-2-ylmethyl)-8-methoxy-2-methylpyrido[3,2-d]pyrimidin-4-amine
CID 174269563

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethoxy-N-(furan-2-ylmethyl)-7-methoxyquinazolin-4-amine?
The IUPAC name of 2-chloro-6-ethoxy-N-(furan-2-ylmethyl)-7-methoxyquinazolin-4-amine (CID 171562089) is 2-chloro-6-ethoxy-N-(furan-2-ylmethyl)-7-methoxyquinazolin-4-amine.
What is the SMILES notation for 2-chloro-6-ethoxy-N-(furan-2-ylmethyl)-7-methoxyquinazolin-4-amine?
The canonical SMILES for 2-chloro-6-ethoxy-N-(furan-2-ylmethyl)-7-methoxyquinazolin-4-amine is CCOc1cc2c(NCc3ccco3)nc(Cl)nc2cc1OC.
What is the InChIKey of 2-chloro-6-ethoxy-N-(furan-2-ylmethyl)-7-methoxyquinazolin-4-amine?
The InChIKey is AEMVFUBXXDWICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c1-3-22-14-7-11-12(8-13(14)21-2)19-16(17)20-15(11)18-9-10-5-4-6-23-10/h4-8H,3,9H2,1-2H3,(H,18,19,20).
What are the key properties of 2-chloro-6-ethoxy-N-(furan-2-ylmethyl)-7-methoxyquinazolin-4-amine?
2-chloro-6-ethoxy-N-(furan-2-ylmethyl)-7-methoxyquinazolin-4-amine has a molecular weight of 333.78 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethoxy-N-(furan-2-ylmethyl)-7-methoxyquinazolin-4-amine is sourced from PubChem (CID 171562089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).