N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]acetamide

C19H17FN4O — CID 90446066

IUPACN-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CC(Nc1ncnc3ccc(F)cc13)C2
InChIInChI=1S/C19H17FN4O/c1-11(25)23-15-4-2-12-6-16(8-13(12)7-15)24-19-17-9-14(20)3-5-18(17)21-10-22-19/h2-5,7,9-10,16H,6,8H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyNTLCYJNOXYNDRM-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.31
Rot. Bonds3

About N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]acetamide

N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]acetamide (PubChem CID 90446066) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]acetamide
PubChem CID90446066
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CC(Nc1ncnc3ccc(F)cc13)C2
InChIInChI=1S/C19H17FN4O/c1-11(25)23-15-4-2-12-6-16(8-13(12)7-15)24-19-17-9-14(20)3-5-18(17)21-10-22-19/h2-5,7,9-10,16H,6,8H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyNTLCYJNOXYNDRM-UHFFFAOYSA-N
XLogP3.31
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]acetamide?
The IUPAC name of N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]acetamide (CID 90446066) is N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]acetamide.
What is the SMILES notation for N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]acetamide?
The canonical SMILES for N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)CC(Nc1ncnc3ccc(F)cc13)C2.
What is the InChIKey of N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]acetamide?
The InChIKey is NTLCYJNOXYNDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-11(25)23-15-4-2-12-6-16(8-13(12)7-15)24-19-17-9-14(20)3-5-18(17)21-10-22-19/h2-5,7,9-10,16H,6,8H2,1H3,(H,23,25)(H,21,22,24).
What are the key properties of N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]acetamide?
N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]acetamide has a molecular weight of 336.37 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]acetamide is sourced from PubChem (CID 90446066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).