2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N,N-diethyl-5-fluorobenzamide

C28H26FN5O2 — CID 46701630

IUPAC2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N,N-diethyl-5-fluorobenzamide
SMILESCCN(CC)C(=O)c1cc(F)ccc1-c1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1
InChIInChI=1S/C28H26FN5O2/c1-3-33(4-2)26(35)22-14-20(29)10-11-21(22)17-9-12-24-23(13-17)25(32-28(30)31-24)27(36)34-15-18-7-5-6-8-19(18)16-34/h5-14H,3-4,15-16H2,1-2H3,(H2,30,31,32)
InChIKeyAUYKIYWVXGRHNJ-UHFFFAOYSA-N
MW483.55 g/mol
LogP4.66
Rot. Bonds5

About 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N,N-diethyl-5-fluorobenzamide

2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N,N-diethyl-5-fluorobenzamide (PubChem CID 46701630) has the molecular formula C28H26FN5O2 and a molecular weight of 483.55 g/mol. Its IUPAC name is 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N,N-diethyl-5-fluorobenzamide.

Molecular Properties

Compound Name2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N,N-diethyl-5-fluorobenzamide
PubChem CID46701630
Molecular FormulaC28H26FN5O2
Molecular Weight483.55 g/mol
Exact Mass483.21
IUPAC Name2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N,N-diethyl-5-fluorobenzamide
SMILESCCN(CC)C(=O)c1cc(F)ccc1-c1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1
InChIInChI=1S/C28H26FN5O2/c1-3-33(4-2)26(35)22-14-20(29)10-11-21(22)17-9-12-24-23(13-17)25(32-28(30)31-24)27(36)34-15-18-7-5-6-8-19(18)16-34/h5-14H,3-4,15-16H2,1-2H3,(H2,30,31,32)
InChIKeyAUYKIYWVXGRHNJ-UHFFFAOYSA-N
XLogP4.66
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N,N-diethyl-5-fluorobenzamide?
The IUPAC name of 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N,N-diethyl-5-fluorobenzamide (CID 46701630) is 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N,N-diethyl-5-fluorobenzamide.
What is the SMILES notation for 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N,N-diethyl-5-fluorobenzamide?
The canonical SMILES for 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N,N-diethyl-5-fluorobenzamide is CCN(CC)C(=O)c1cc(F)ccc1-c1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1.
What is the InChIKey of 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N,N-diethyl-5-fluorobenzamide?
The InChIKey is AUYKIYWVXGRHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O2/c1-3-33(4-2)26(35)22-14-20(29)10-11-21(22)17-9-12-24-23(13-17)25(32-28(30)31-24)27(36)34-15-18-7-5-6-8-19(18)16-34/h5-14H,3-4,15-16H2,1-2H3,(H2,30,31,32).
What are the key properties of 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N,N-diethyl-5-fluorobenzamide?
2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N,N-diethyl-5-fluorobenzamide has a molecular weight of 483.55 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N,N-diethyl-5-fluorobenzamide is sourced from PubChem (CID 46701630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).