4-N-[3-chloro-4-(furan-3-ylmethoxy)phenyl]quinazoline-4,6-diamine

C19H15ClN4O2 — CID 67600221

IUPAC4-N-[3-chloro-4-(furan-3-ylmethoxy)phenyl]quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(Nc3ccc(OCc4ccoc4)c(Cl)c3)c2c1
InChIInChI=1S/C19H15ClN4O2/c20-16-8-14(2-4-18(16)26-10-12-5-6-25-9-12)24-19-15-7-13(21)1-3-17(15)22-11-23-19/h1-9,11H,10,21H2,(H,22,23,24)
InChIKeyZQYNGYJPCUCAOK-UHFFFAOYSA-N
MW366.81 g/mol
LogP4.78
Rot. Bonds5

About 4-N-[3-chloro-4-(furan-3-ylmethoxy)phenyl]quinazoline-4,6-diamine

4-N-[3-chloro-4-(furan-3-ylmethoxy)phenyl]quinazoline-4,6-diamine (PubChem CID 67600221) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is 4-N-[3-chloro-4-(furan-3-ylmethoxy)phenyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-[3-chloro-4-(furan-3-ylmethoxy)phenyl]quinazoline-4,6-diamine
PubChem CID67600221
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC Name4-N-[3-chloro-4-(furan-3-ylmethoxy)phenyl]quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(Nc3ccc(OCc4ccoc4)c(Cl)c3)c2c1
InChIInChI=1S/C19H15ClN4O2/c20-16-8-14(2-4-18(16)26-10-12-5-6-25-9-12)24-19-15-7-13(21)1-3-17(15)22-11-23-19/h1-9,11H,10,21H2,(H,22,23,24)
InChIKeyZQYNGYJPCUCAOK-UHFFFAOYSA-N
XLogP4.78
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 54.78
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

4-N-[3-chloro-4-(pyridin-4-ylmethoxy)phenyl]quinazoline-4,6-diamine
CID 69221072
4-[2-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]hydrazinyl]quinazolin-6-amine
CID 141177104
4-[3-chloro-4-(furan-3-ylmethoxy)anilino]quinazoline-2-carboxamide
CID 173306474
4-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamine;hydrochloride
CID 21217673
[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]boronic acid
CID 21071164
6-bromo-N-(3-chloro-4-methoxyphenyl)quinazolin-4-amine
CID 121416177
2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]acetic acid
CID 141203089
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(4-ethylphenyl)quinazolin-4-amine;ethane
CID 171539522
4-N-(4-propylphenyl)quinazoline-4,6-diamine
CID 64589074
6-bromo-N-(3-chloro-4-phenylmethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 118364959
4-N-(4-iodophenyl)quinazoline-4,6-diamine
CID 64588865
4-N-(4-fluorophenyl)quinazoline-4,6-diamine
CID 64590257

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-chloro-4-(furan-3-ylmethoxy)phenyl]quinazoline-4,6-diamine?
The IUPAC name of 4-N-[3-chloro-4-(furan-3-ylmethoxy)phenyl]quinazoline-4,6-diamine (CID 67600221) is 4-N-[3-chloro-4-(furan-3-ylmethoxy)phenyl]quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-[3-chloro-4-(furan-3-ylmethoxy)phenyl]quinazoline-4,6-diamine?
The canonical SMILES for 4-N-[3-chloro-4-(furan-3-ylmethoxy)phenyl]quinazoline-4,6-diamine is Nc1ccc2ncnc(Nc3ccc(OCc4ccoc4)c(Cl)c3)c2c1.
What is the InChIKey of 4-N-[3-chloro-4-(furan-3-ylmethoxy)phenyl]quinazoline-4,6-diamine?
The InChIKey is ZQYNGYJPCUCAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c20-16-8-14(2-4-18(16)26-10-12-5-6-25-9-12)24-19-15-7-13(21)1-3-17(15)22-11-23-19/h1-9,11H,10,21H2,(H,22,23,24).
What are the key properties of 4-N-[3-chloro-4-(furan-3-ylmethoxy)phenyl]quinazoline-4,6-diamine?
4-N-[3-chloro-4-(furan-3-ylmethoxy)phenyl]quinazoline-4,6-diamine has a molecular weight of 366.81 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-chloro-4-(furan-3-ylmethoxy)phenyl]quinazoline-4,6-diamine is sourced from PubChem (CID 67600221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).