4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-fluoroquinazoline-2-carboxamide

C21H15ClFN5O2 — CID 90980287

IUPAC4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-fluoroquinazoline-2-carboxamide
SMILESNC(=O)c1nc(Nc2ccc(OCc3ccccn3)c(Cl)c2)c2ccc(F)cc2n1
InChIInChI=1S/C21H15ClFN5O2/c22-16-10-13(5-7-18(16)30-11-14-3-1-2-8-25-14)26-20-15-6-4-12(23)9-17(15)27-21(28-20)19(24)29/h1-10H,11H2,(H2,24,29)(H,26,27,28)
InChIKeyYGIFXJPAXIBIKR-UHFFFAOYSA-N
MW423.84 g/mol
LogP4.24
Rot. Bonds6

About 4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-fluoroquinazoline-2-carboxamide

4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-fluoroquinazoline-2-carboxamide (PubChem CID 90980287) has the molecular formula C21H15ClFN5O2 and a molecular weight of 423.84 g/mol. Its IUPAC name is 4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-fluoroquinazoline-2-carboxamide.

Molecular Properties

Compound Name4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-fluoroquinazoline-2-carboxamide
PubChem CID90980287
Molecular FormulaC21H15ClFN5O2
Molecular Weight423.84 g/mol
Exact Mass423.09
IUPAC Name4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-fluoroquinazoline-2-carboxamide
SMILESNC(=O)c1nc(Nc2ccc(OCc3ccccn3)c(Cl)c2)c2ccc(F)cc2n1
InChIInChI=1S/C21H15ClFN5O2/c22-16-10-13(5-7-18(16)30-11-14-3-1-2-8-25-14)26-20-15-6-4-12(23)9-17(15)27-21(28-20)19(24)29/h1-10H,11H2,(H2,24,29)(H,26,27,28)
InChIKeyYGIFXJPAXIBIKR-UHFFFAOYSA-N
XLogP4.24
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.84
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-7-fluoroquinazolin-4-amine
CID 141145307
4-[3-chloro-4-(furan-3-ylmethoxy)anilino]quinazoline-2-carboxamide
CID 173306474
7-chloro-4-(3-chloro-4-fluoroanilino)quinazoline-2-carboxamide
CID 173085560
4-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxybutanamide
CID 69491882
4-(3-chloro-4-fluoroanilino)-7-(fluoromethoxy)quinazoline-2-carboxamide
CID 172995353
(2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxypropanamide
CID 11568615
sodium 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxyacetate
CID 69491065
methyl (2S)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxypropanoate
CID 86615532
(2S)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxypropanal
CID 87855567
1-[4-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-methoxyquinazolin-2-yl]oxypiperidin-1-yl]-2-hydroxyethanone
CID 90864155
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 175816662
4-(3-chloro-4-fluoroanilino)-7-propan-2-yloxyquinazoline-2-carboxamide
CID 172995306

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-fluoroquinazoline-2-carboxamide?
The IUPAC name of 4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-fluoroquinazoline-2-carboxamide (CID 90980287) is 4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-fluoroquinazoline-2-carboxamide.
What is the SMILES notation for 4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-fluoroquinazoline-2-carboxamide?
The canonical SMILES for 4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-fluoroquinazoline-2-carboxamide is NC(=O)c1nc(Nc2ccc(OCc3ccccn3)c(Cl)c2)c2ccc(F)cc2n1.
What is the InChIKey of 4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-fluoroquinazoline-2-carboxamide?
The InChIKey is YGIFXJPAXIBIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN5O2/c22-16-10-13(5-7-18(16)30-11-14-3-1-2-8-25-14)26-20-15-6-4-12(23)9-17(15)27-21(28-20)19(24)29/h1-10H,11H2,(H2,24,29)(H,26,27,28).
What are the key properties of 4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-fluoroquinazoline-2-carboxamide?
4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-fluoroquinazoline-2-carboxamide has a molecular weight of 423.84 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-fluoroquinazoline-2-carboxamide is sourced from PubChem (CID 90980287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).