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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Related Compounds

N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-hydroxyacetamide
CID 90446549
N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]furan-2-carboxamide
CID 90446717
2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-ol
CID 90446084
N-[7-[(6-fluoroquinazolin-4-yl)amino]-5,6,7,8-tetrahydroquinolin-3-yl]acetamide
CID 90446773
N-(2,3-dihydro-1H-inden-2-yl)-6-fluoroquinazolin-4-amine
CID 86305598
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-6-fluoroquinazolin-4-amine
CID 171358732
N-[2-[(6-cyanoquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-(diethylamino)acetamide
CID 90446555
N-[7-[(6-fluoroquinazolin-4-yl)amino]-5,6,7,8-tetrahydroquinolin-3-yl]-3-hydroxy-3-methylbutanamide
CID 90446778
6-methyl-N-(5-nitro-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine
CID 144711397
N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-6-methylsulfonylquinazolin-4-amine
CID 90446551
2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]-6-methylpyridazin-3-one
CID 126934861
2-[(6-fluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide
CID 133428030

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).