N-[6-amino-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide

C23H25ClFN5O3 — CID 10457581

IUPACN-[6-amino-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCC(=O)N(c1ccc(F)c(Cl)c1)c1ncnc2cc(OCCCN3CCOCC3)c(N)cc12
InChIInChI=1S/C23H25ClFN5O3/c1-15(31)30(16-3-4-19(25)18(24)11-16)23-17-12-20(26)22(13-21(17)27-14-28-23)33-8-2-5-29-6-9-32-10-7-29/h3-4,11-14H,2,5-10,26H2,1H3
InChIKeyWPCMJVUESFXKLQ-UHFFFAOYSA-N
MW473.94 g/mol
LogP3.79
Rot. Bonds7

About N-[6-amino-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide

N-[6-amino-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide (PubChem CID 10457581) has the molecular formula C23H25ClFN5O3 and a molecular weight of 473.94 g/mol. Its IUPAC name is N-[6-amino-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[6-amino-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide
PubChem CID10457581
Molecular FormulaC23H25ClFN5O3
Molecular Weight473.94 g/mol
Exact Mass473.16
IUPAC NameN-[6-amino-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCC(=O)N(c1ccc(F)c(Cl)c1)c1ncnc2cc(OCCCN3CCOCC3)c(N)cc12
InChIInChI=1S/C23H25ClFN5O3/c1-15(31)30(16-3-4-19(25)18(24)11-16)23-17-12-20(26)22(13-21(17)27-14-28-23)33-8-2-5-29-6-9-32-10-7-29/h3-4,11-14H,2,5-10,26H2,1H3
InChIKeyWPCMJVUESFXKLQ-UHFFFAOYSA-N
XLogP3.79
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.94
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-propylquinazolin-4-amine
CID 171345695
4-N-(3-chloro-4-fluorophenyl)-7-(3-morpholin-4-ylpropoxy)quinazoline-4,6-diamine
CID 10137640
N-(4-fluoro-3-methylphenyl)-N-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]prop-2-enamide
CID 155520384
N-(5-chloro-2-fluorophenyl)-N-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]prop-2-enamide
CID 155545153
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;2-hydroxyacetic acid
CID 175377162
butanoic acid;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 71584867
(E)-3-[bis(trideuteriomethyl)amino]-N-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide
CID 71555230
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(6-morpholin-4-ylhexoxy)quinazolin-4-amine
CID 141320482
N-(3-bromophenyl)-N-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-3,3-dimethylbutanamide
CID 46186828
3-chloro-4-fluoro-N-[5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrimidin-2-yl]benzamide
CID 23646074
2-amino-N'-(3-chloro-4-fluorophenyl)-4-methoxy-5-(3-morpholin-4-ylpropoxy)benzenecarboximidamide
CID 46179602
N-(3-chloro-4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine
CID 127049195

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide?
The IUPAC name of N-[6-amino-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide (CID 10457581) is N-[6-amino-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for N-[6-amino-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for N-[6-amino-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide is CC(=O)N(c1ccc(F)c(Cl)c1)c1ncnc2cc(OCCCN3CCOCC3)c(N)cc12.
What is the InChIKey of N-[6-amino-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide?
The InChIKey is WPCMJVUESFXKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN5O3/c1-15(31)30(16-3-4-19(25)18(24)11-16)23-17-12-20(26)22(13-21(17)27-14-28-23)33-8-2-5-29-6-9-32-10-7-29/h3-4,11-14H,2,5-10,26H2,1H3.
What are the key properties of N-[6-amino-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide?
N-[6-amino-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide has a molecular weight of 473.94 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 10457581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).