N-[(1R,2R)-1-[(7-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide

C19H17FN4O — CID 72898601

IUPACN-[(1R,2R)-1-[(7-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide
SMILESCC(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1ncnc2cc(F)ccc12
InChIInChI=1S/C19H17FN4O/c1-11(25)23-17-8-12-4-2-3-5-14(12)18(17)24-19-15-7-6-13(20)9-16(15)21-10-22-19/h2-7,9-10,17-18H,8H2,1H3,(H,23,25)(H,21,22,24)/t17-,18-/m1/s1
InChIKeyPXUDXUMWHPWXIR-QZTJIDSGSA-N
MW336.37 g/mol
LogP2.98
Rot. Bonds3

About N-[(1R,2R)-1-[(7-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide

N-[(1R,2R)-1-[(7-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide (PubChem CID 72898601) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[(1R,2R)-1-[(7-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-1-[(7-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide
PubChem CID72898601
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-[(1R,2R)-1-[(7-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide
SMILESCC(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1ncnc2cc(F)ccc12
InChIInChI=1S/C19H17FN4O/c1-11(25)23-17-8-12-4-2-3-5-14(12)18(17)24-19-15-7-6-13(20)9-16(15)21-10-22-19/h2-7,9-10,17-18H,8H2,1H3,(H,23,25)(H,21,22,24)/t17-,18-/m1/s1
InChIKeyPXUDXUMWHPWXIR-QZTJIDSGSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-[(7-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide?
The IUPAC name of N-[(1R,2R)-1-[(7-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide (CID 72898601) is N-[(1R,2R)-1-[(7-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide.
What is the SMILES notation for N-[(1R,2R)-1-[(7-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide?
The canonical SMILES for N-[(1R,2R)-1-[(7-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide is CC(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1ncnc2cc(F)ccc12.
What is the InChIKey of N-[(1R,2R)-1-[(7-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide?
The InChIKey is PXUDXUMWHPWXIR-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-11(25)23-17-8-12-4-2-3-5-14(12)18(17)24-19-15-7-6-13(20)9-16(15)21-10-22-19/h2-7,9-10,17-18H,8H2,1H3,(H,23,25)(H,21,22,24)/t17-,18-/m1/s1.
What are the key properties of N-[(1R,2R)-1-[(7-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide?
N-[(1R,2R)-1-[(7-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide has a molecular weight of 336.37 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1-[(7-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide is sourced from PubChem (CID 72898601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).