2-(3-chlorophenoxy)-N-[(3-methylfuran-2-yl)methyl]quinazolin-4-amine

C20H16ClN3O2 — CID 127036502

IUPAC2-(3-chlorophenoxy)-N-[(3-methylfuran-2-yl)methyl]quinazolin-4-amine
SMILESCc1ccoc1CNc1nc(Oc2cccc(Cl)c2)nc2ccccc12
InChIInChI=1S/C20H16ClN3O2/c1-13-9-10-25-18(13)12-22-19-16-7-2-3-8-17(16)23-20(24-19)26-15-6-4-5-14(21)11-15/h2-11H,12H2,1H3,(H,22,23,24)
InChIKeyQDFQWERMNPDZQO-UHFFFAOYSA-N
MW365.82 g/mol
LogP5.59
Rot. Bonds5

About 2-(3-chlorophenoxy)-N-[(3-methylfuran-2-yl)methyl]quinazolin-4-amine

2-(3-chlorophenoxy)-N-[(3-methylfuran-2-yl)methyl]quinazolin-4-amine (PubChem CID 127036502) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[(3-methylfuran-2-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[(3-methylfuran-2-yl)methyl]quinazolin-4-amine
PubChem CID127036502
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC Name2-(3-chlorophenoxy)-N-[(3-methylfuran-2-yl)methyl]quinazolin-4-amine
SMILESCc1ccoc1CNc1nc(Oc2cccc(Cl)c2)nc2ccccc12
InChIInChI=1S/C20H16ClN3O2/c1-13-9-10-25-18(13)12-22-19-16-7-2-3-8-17(16)23-20(24-19)26-15-6-4-5-14(21)11-15/h2-11H,12H2,1H3,(H,22,23,24)
InChIKeyQDFQWERMNPDZQO-UHFFFAOYSA-N
XLogP5.59
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.82
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dichlorophenoxy)-6-fluoro-N-[(3-methylfuran-2-yl)methyl]quinazolin-4-amine
CID 127036504
1-[2-(3-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine
CID 62323576
2-(3-chlorophenoxy)-4,6-dimethylpyrimidine
CID 171984782
4-N-benzyl-2-N-(3-chlorophenyl)quinazoline-2,4-diamine;hydrochloride
CID 44658873
1-(3-chlorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 115651182
N-[(3-chlorophenyl)methyl]-2-hydrazinylquinazolin-4-amine
CID 80903388
2-N-(3-chloro-4-methylphenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
CID 39861431
2-N-(3-chlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963528
N-benzyl-2-[(3-chlorophenyl)methyl]quinazolin-4-amine
CID 58523909
4-N-(furan-2-ylmethyl)-2-N-[(3-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 154620273
2-chloro-N-[(4-phenoxyphenyl)methyl]quinazolin-4-amine
CID 87480931
N-[[2-(3-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 83187072

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[(3-methylfuran-2-yl)methyl]quinazolin-4-amine?
The IUPAC name of 2-(3-chlorophenoxy)-N-[(3-methylfuran-2-yl)methyl]quinazolin-4-amine (CID 127036502) is 2-(3-chlorophenoxy)-N-[(3-methylfuran-2-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[(3-methylfuran-2-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[(3-methylfuran-2-yl)methyl]quinazolin-4-amine is Cc1ccoc1CNc1nc(Oc2cccc(Cl)c2)nc2ccccc12.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[(3-methylfuran-2-yl)methyl]quinazolin-4-amine?
The InChIKey is QDFQWERMNPDZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c1-13-9-10-25-18(13)12-22-19-16-7-2-3-8-17(16)23-20(24-19)26-15-6-4-5-14(21)11-15/h2-11H,12H2,1H3,(H,22,23,24).
What are the key properties of 2-(3-chlorophenoxy)-N-[(3-methylfuran-2-yl)methyl]quinazolin-4-amine?
2-(3-chlorophenoxy)-N-[(3-methylfuran-2-yl)methyl]quinazolin-4-amine has a molecular weight of 365.82 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[(3-methylfuran-2-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 127036502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).