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

C22H17FN4O2 — CID 90446717

IUPACN-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)CC(Nc1ncnc3ccc(F)cc13)C2)c1ccco1
InChIInChI=1S/C22H17FN4O2/c23-15-4-6-19-18(11-15)21(25-12-24-19)26-17-8-13-3-5-16(9-14(13)10-17)27-22(28)20-2-1-7-29-20/h1-7,9,11-12,17H,8,10H2,(H,27,28)(H,24,25,26)
InChIKeyOHUSADMGGOWAMO-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.19
Rot. Bonds4

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

N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]furan-2-carboxamide (PubChem CID 90446717) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]furan-2-carboxamide
PubChem CID90446717
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC NameN-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)CC(Nc1ncnc3ccc(F)cc13)C2)c1ccco1
InChIInChI=1S/C22H17FN4O2/c23-15-4-6-19-18(11-15)21(25-12-24-19)26-17-8-13-3-5-16(9-14(13)10-17)27-22(28)20-2-1-7-29-20/h1-7,9,11-12,17H,8,10H2,(H,27,28)(H,24,25,26)
InChIKeyOHUSADMGGOWAMO-UHFFFAOYSA-N
XLogP4.19
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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]furan-2-carboxamide?
The IUPAC name of N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]furan-2-carboxamide (CID 90446717) is N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]furan-2-carboxamide is O=C(Nc1ccc2c(c1)CC(Nc1ncnc3ccc(F)cc13)C2)c1ccco1.
What is the InChIKey of N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]furan-2-carboxamide?
The InChIKey is OHUSADMGGOWAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c23-15-4-6-19-18(11-15)21(25-12-24-19)26-17-8-13-3-5-16(9-14(13)10-17)27-22(28)20-2-1-7-29-20/h1-7,9,11-12,17H,8,10H2,(H,27,28)(H,24,25,26).
What are the key properties of N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]furan-2-carboxamide?
N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]furan-2-carboxamide has a molecular weight of 388.40 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 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]furan-2-carboxamide is sourced from PubChem (CID 90446717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).