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

C20H16ClN5O — CID 69221072

IUPAC4-N-[3-chloro-4-(pyridin-4-ylmethoxy)phenyl]quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(Nc3ccc(OCc4ccncc4)c(Cl)c3)c2c1
InChIInChI=1S/C20H16ClN5O/c21-17-10-15(2-4-19(17)27-11-13-5-7-23-8-6-13)26-20-16-9-14(22)1-3-18(16)24-12-25-20/h1-10,12H,11,22H2,(H,24,25,26)
InChIKeyDEFOXBZUVYUYCE-UHFFFAOYSA-N
MW377.84 g/mol
LogP4.58
Rot. Bonds5

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

4-N-[3-chloro-4-(pyridin-4-ylmethoxy)phenyl]quinazoline-4,6-diamine (PubChem CID 69221072) has the molecular formula C20H16ClN5O and a molecular weight of 377.84 g/mol. Its IUPAC name is 4-N-[3-chloro-4-(pyridin-4-ylmethoxy)phenyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-[3-chloro-4-(pyridin-4-ylmethoxy)phenyl]quinazoline-4,6-diamine
PubChem CID69221072
Molecular FormulaC20H16ClN5O
Molecular Weight377.84 g/mol
Exact Mass377.10
IUPAC Name4-N-[3-chloro-4-(pyridin-4-ylmethoxy)phenyl]quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(Nc3ccc(OCc4ccncc4)c(Cl)c3)c2c1
InChIInChI=1S/C20H16ClN5O/c21-17-10-15(2-4-19(17)27-11-13-5-7-23-8-6-13)26-20-16-9-14(22)1-3-18(16)24-12-25-20/h1-10,12H,11,22H2,(H,24,25,26)
InChIKeyDEFOXBZUVYUYCE-UHFFFAOYSA-N
XLogP4.58
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 54.58
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-(furan-3-ylmethoxy)phenyl]quinazoline-4,6-diamine
CID 67600221
4-[2-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]hydrazinyl]quinazolin-6-amine
CID 141177104
N'-[4-[3-chloro-4-(pyridin-4-ylmethoxy)anilino]quinazolin-6-yl]-N-[3-(dimethylamino)propyl]but-2-enediamide
CID 54043765
4-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamine;hydrochloride
CID 21217673
N-[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-amine
CID 57003876
[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
4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-(2,3-dihydro-1H-pyrrol-5-yl)quinazoline-4,6-diamine
CID 141281338
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-quinolin-5-ylquinazolin-4-amine
CID 71662068
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(4-ethylphenyl)quinazolin-4-amine;ethane
CID 171539522
2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]acetic acid
CID 141203089
4-N-(4-propylphenyl)quinazoline-4,6-diamine
CID 64589074

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-chloro-4-(pyridin-4-ylmethoxy)phenyl]quinazoline-4,6-diamine?
The IUPAC name of 4-N-[3-chloro-4-(pyridin-4-ylmethoxy)phenyl]quinazoline-4,6-diamine (CID 69221072) is 4-N-[3-chloro-4-(pyridin-4-ylmethoxy)phenyl]quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-[3-chloro-4-(pyridin-4-ylmethoxy)phenyl]quinazoline-4,6-diamine?
The canonical SMILES for 4-N-[3-chloro-4-(pyridin-4-ylmethoxy)phenyl]quinazoline-4,6-diamine is Nc1ccc2ncnc(Nc3ccc(OCc4ccncc4)c(Cl)c3)c2c1.
What is the InChIKey of 4-N-[3-chloro-4-(pyridin-4-ylmethoxy)phenyl]quinazoline-4,6-diamine?
The InChIKey is DEFOXBZUVYUYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O/c21-17-10-15(2-4-19(17)27-11-13-5-7-23-8-6-13)26-20-16-9-14(22)1-3-18(16)24-12-25-20/h1-10,12H,11,22H2,(H,24,25,26).
What are the key properties of 4-N-[3-chloro-4-(pyridin-4-ylmethoxy)phenyl]quinazoline-4,6-diamine?
4-N-[3-chloro-4-(pyridin-4-ylmethoxy)phenyl]quinazoline-4,6-diamine has a molecular weight of 377.84 g/mol, XLogP of 4.58, 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-(pyridin-4-ylmethoxy)phenyl]quinazoline-4,6-diamine is sourced from PubChem (CID 69221072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).