N-[7-[(6-fluoroquinazolin-4-yl)amino]-5,6,7,8-tetrahydroquinolin-3-yl]acetamide

C19H18FN5O — CID 90446773

IUPACN-[7-[(6-fluoroquinazolin-4-yl)amino]-5,6,7,8-tetrahydroquinolin-3-yl]acetamide
SMILESCC(=O)Nc1cnc2c(c1)CCC(Nc1ncnc3ccc(F)cc13)C2
InChIInChI=1S/C19H18FN5O/c1-11(26)24-15-6-12-2-4-14(8-18(12)21-9-15)25-19-16-7-13(20)3-5-17(16)22-10-23-19/h3,5-7,9-10,14H,2,4,8H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyFSSWZYLKOBOTSN-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.09
Rot. Bonds3

About N-[7-[(6-fluoroquinazolin-4-yl)amino]-5,6,7,8-tetrahydroquinolin-3-yl]acetamide

N-[7-[(6-fluoroquinazolin-4-yl)amino]-5,6,7,8-tetrahydroquinolin-3-yl]acetamide (PubChem CID 90446773) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is N-[7-[(6-fluoroquinazolin-4-yl)amino]-5,6,7,8-tetrahydroquinolin-3-yl]acetamide.

Molecular Properties

Compound NameN-[7-[(6-fluoroquinazolin-4-yl)amino]-5,6,7,8-tetrahydroquinolin-3-yl]acetamide
PubChem CID90446773
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC NameN-[7-[(6-fluoroquinazolin-4-yl)amino]-5,6,7,8-tetrahydroquinolin-3-yl]acetamide
SMILESCC(=O)Nc1cnc2c(c1)CCC(Nc1ncnc3ccc(F)cc13)C2
InChIInChI=1S/C19H18FN5O/c1-11(26)24-15-6-12-2-4-14(8-18(12)21-9-15)25-19-16-7-13(20)3-5-17(16)22-10-23-19/h3,5-7,9-10,14H,2,4,8H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyFSSWZYLKOBOTSN-UHFFFAOYSA-N
XLogP3.09
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[7-[(6-fluoroquinazolin-4-yl)amino]-5,6,7,8-tetrahydroquinolin-3-yl]acetamide with MolForge

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Related Compounds

N-[7-[(6-fluoroquinazolin-4-yl)amino]-5,6,7,8-tetrahydroquinolin-3-yl]-3-hydroxy-3-methylbutanamide
CID 90446778
N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]acetamide
CID 90446066
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-6-fluoroquinazolin-4-amine
CID 171358732
N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-hydroxyacetamide
CID 90446549
N-(2,3-dihydro-1H-inden-2-yl)-6-fluoroquinazolin-4-amine
CID 86305598
2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-ol
CID 90446084
N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]furan-2-carboxamide
CID 90446717
N-[6-[(6-fluoroquinazolin-4-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]formamide
CID 90446598
2-[(6-fluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide
CID 133428030
6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)quinazolin-4-amine
CID 133377625
4-[[6-(6-fluoro-5-hydroxy-3-pyridinyl)quinazolin-4-yl]amino]cyclohexan-1-one
CID 121254796
6-N-(6-chloroquinazolin-4-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine
CID 90446108

Frequently Asked Questions

What is the IUPAC name of N-[7-[(6-fluoroquinazolin-4-yl)amino]-5,6,7,8-tetrahydroquinolin-3-yl]acetamide?
The IUPAC name of N-[7-[(6-fluoroquinazolin-4-yl)amino]-5,6,7,8-tetrahydroquinolin-3-yl]acetamide (CID 90446773) is N-[7-[(6-fluoroquinazolin-4-yl)amino]-5,6,7,8-tetrahydroquinolin-3-yl]acetamide.
What is the SMILES notation for N-[7-[(6-fluoroquinazolin-4-yl)amino]-5,6,7,8-tetrahydroquinolin-3-yl]acetamide?
The canonical SMILES for N-[7-[(6-fluoroquinazolin-4-yl)amino]-5,6,7,8-tetrahydroquinolin-3-yl]acetamide is CC(=O)Nc1cnc2c(c1)CCC(Nc1ncnc3ccc(F)cc13)C2.
What is the InChIKey of N-[7-[(6-fluoroquinazolin-4-yl)amino]-5,6,7,8-tetrahydroquinolin-3-yl]acetamide?
The InChIKey is FSSWZYLKOBOTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c1-11(26)24-15-6-12-2-4-14(8-18(12)21-9-15)25-19-16-7-13(20)3-5-17(16)22-10-23-19/h3,5-7,9-10,14H,2,4,8H2,1H3,(H,24,26)(H,22,23,25).
What are the key properties of N-[7-[(6-fluoroquinazolin-4-yl)amino]-5,6,7,8-tetrahydroquinolin-3-yl]acetamide?
N-[7-[(6-fluoroquinazolin-4-yl)amino]-5,6,7,8-tetrahydroquinolin-3-yl]acetamide has a molecular weight of 351.39 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(6-fluoroquinazolin-4-yl)amino]-5,6,7,8-tetrahydroquinolin-3-yl]acetamide is sourced from PubChem (CID 90446773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).