2-(3-chloro-4-fluorophenyl)-7-(oxolan-3-yloxy)quinazoline-4,6-diamine

C18H16ClFN4O2 — CID 67006510

IUPAC2-(3-chloro-4-fluorophenyl)-7-(oxolan-3-yloxy)quinazoline-4,6-diamine
SMILESNc1cc2c(N)nc(-c3ccc(F)c(Cl)c3)nc2cc1OC1CCOC1
InChIInChI=1S/C18H16ClFN4O2/c19-12-5-9(1-2-13(12)20)18-23-15-7-16(26-10-3-4-25-8-10)14(21)6-11(15)17(22)24-18/h1-2,5-7,10H,3-4,8,21H2,(H2,22,23,24)
InChIKeyMYNPSNLTFJHFEG-UHFFFAOYSA-N
MW374.80 g/mol
LogP3.42
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-7-(oxolan-3-yloxy)quinazoline-4,6-diamine

2-(3-chloro-4-fluorophenyl)-7-(oxolan-3-yloxy)quinazoline-4,6-diamine (PubChem CID 67006510) has the molecular formula C18H16ClFN4O2 and a molecular weight of 374.80 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-7-(oxolan-3-yloxy)quinazoline-4,6-diamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-7-(oxolan-3-yloxy)quinazoline-4,6-diamine
PubChem CID67006510
Molecular FormulaC18H16ClFN4O2
Molecular Weight374.80 g/mol
Exact Mass374.09
IUPAC Name2-(3-chloro-4-fluorophenyl)-7-(oxolan-3-yloxy)quinazoline-4,6-diamine
SMILESNc1cc2c(N)nc(-c3ccc(F)c(Cl)c3)nc2cc1OC1CCOC1
InChIInChI=1S/C18H16ClFN4O2/c19-12-5-9(1-2-13(12)20)18-23-15-7-16(26-10-3-4-25-8-10)14(21)6-11(15)17(22)24-18/h1-2,5-7,10H,3-4,8,21H2,(H2,22,23,24)
InChIKeyMYNPSNLTFJHFEG-UHFFFAOYSA-N
XLogP3.42
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-(oxolan-3-yloxy)-2-(2,3,4,5-tetrafluoro-6-methylsulfanylphenyl)quinazoline-4,6-diamine
CID 175480191
7-[(3S)-oxolan-3-yl]oxyquinazoline-4,6-diamine
CID 164962336
2-(3-chloro-4-fluorophenyl)-7-ethoxy-6-N-methylquinazoline-4,6-diamine
CID 126688865
N-(3-chloro-4-fluorophenyl)-7-(oxolan-3-yloxy)-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine
CID 143534857
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine
CID 10216011
5-chloro-2-(oxan-3-yloxy)aniline
CID 107134074
6-amino-4-[4-[(4-chlorophenyl)methoxy]-3-fluoroanilino]-7-(oxolan-3-yloxy)quinoline-3-carbonitrile
CID 89496202
[5-chloro-2-(oxolan-3-yloxy)phenyl]methanamine
CID 63558607
2-[(3S)-oxolan-3-yl]oxybenzene-1,4-diamine
CID 143034204
5-fluoro-2-(oxolan-3-yloxy)-4-propan-2-yloxyaniline
CID 63592135
6-amino-4-[3-chloro-4-[(2-fluorophenyl)methoxy]anilino]-7-(oxolan-3-yloxy)quinoline-3-carbonitrile
CID 89496232
7-chloro-2-(3-fluoro-4-methoxyphenyl)quinazolin-4-amine
CID 64983945

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-7-(oxolan-3-yloxy)quinazoline-4,6-diamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-7-(oxolan-3-yloxy)quinazoline-4,6-diamine (CID 67006510) is 2-(3-chloro-4-fluorophenyl)-7-(oxolan-3-yloxy)quinazoline-4,6-diamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-7-(oxolan-3-yloxy)quinazoline-4,6-diamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-7-(oxolan-3-yloxy)quinazoline-4,6-diamine is Nc1cc2c(N)nc(-c3ccc(F)c(Cl)c3)nc2cc1OC1CCOC1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-7-(oxolan-3-yloxy)quinazoline-4,6-diamine?
The InChIKey is MYNPSNLTFJHFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4O2/c19-12-5-9(1-2-13(12)20)18-23-15-7-16(26-10-3-4-25-8-10)14(21)6-11(15)17(22)24-18/h1-2,5-7,10H,3-4,8,21H2,(H2,22,23,24).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-7-(oxolan-3-yloxy)quinazoline-4,6-diamine?
2-(3-chloro-4-fluorophenyl)-7-(oxolan-3-yloxy)quinazoline-4,6-diamine has a molecular weight of 374.80 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-7-(oxolan-3-yloxy)quinazoline-4,6-diamine is sourced from PubChem (CID 67006510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).