4-[4-[2-(azetidin-1-yl)phenyl]piperidin-1-yl]-2-cyclopropyl-7-fluoro-N-methyl-N-propylquinazolin-6-amine;ethane

C31H42FN5 — CID 144986132

IUPAC4-[4-[2-(azetidin-1-yl)phenyl]piperidin-1-yl]-2-cyclopropyl-7-fluoro-N-methyl-N-propylquinazolin-6-amine;ethane
SMILESCC.CCCN(C)c1cc2c(N3CCC(c4ccccc4N4CCC4)CC3)nc(C3CC3)nc2cc1F
InChIInChI=1S/C29H36FN5.C2H6/c1-3-13-33(2)27-18-23-25(19-24(27)30)31-28(21-9-10-21)32-29(23)35-16-11-20(12-17-35)22-7-4-5-8-26(22)34-14-6-15-34;1-2/h4-5,7-8,18-21H,3,6,9-17H2,1-2H3;1-2H3
InChIKeyRJGIMTZLDQUFPC-UHFFFAOYSA-N
MW503.71 g/mol
LogP7.11
Rot. Bonds7

About 4-[4-[2-(azetidin-1-yl)phenyl]piperidin-1-yl]-2-cyclopropyl-7-fluoro-N-methyl-N-propylquinazolin-6-amine;ethane

4-[4-[2-(azetidin-1-yl)phenyl]piperidin-1-yl]-2-cyclopropyl-7-fluoro-N-methyl-N-propylquinazolin-6-amine;ethane (PubChem CID 144986132) has the molecular formula C31H42FN5 and a molecular weight of 503.71 g/mol. Its IUPAC name is 4-[4-[2-(azetidin-1-yl)phenyl]piperidin-1-yl]-2-cyclopropyl-7-fluoro-N-methyl-N-propylquinazolin-6-amine;ethane.

Molecular Properties

Compound Name4-[4-[2-(azetidin-1-yl)phenyl]piperidin-1-yl]-2-cyclopropyl-7-fluoro-N-methyl-N-propylquinazolin-6-amine;ethane
PubChem CID144986132
Molecular FormulaC31H42FN5
Molecular Weight503.71 g/mol
Exact Mass503.34
IUPAC Name4-[4-[2-(azetidin-1-yl)phenyl]piperidin-1-yl]-2-cyclopropyl-7-fluoro-N-methyl-N-propylquinazolin-6-amine;ethane
SMILESCC.CCCN(C)c1cc2c(N3CCC(c4ccccc4N4CCC4)CC3)nc(C3CC3)nc2cc1F
InChIInChI=1S/C29H36FN5.C2H6/c1-3-13-33(2)27-18-23-25(19-24(27)30)31-28(21-9-10-21)32-29(23)35-16-11-20(12-17-35)22-7-4-5-8-26(22)34-14-6-15-34;1-2/h4-5,7-8,18-21H,3,6,9-17H2,1-2H3;1-2H3
InChIKeyRJGIMTZLDQUFPC-UHFFFAOYSA-N
XLogP7.11
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.71
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-[2-(azetidin-1-yl)phenyl]piperidin-1-yl]-2-cyclopropyl-7-fluoro-N-methyl-N-propylquinazolin-6-amine;ethane with MolForge

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Related Compounds

2-[[4-[4-[2-(azetidin-1-yl)phenyl]piperidin-1-yl]-2-cyclopropylquinazolin-6-yl]-methylamino]ethanol
CID 118610326
[[4-[4-[2-(azetidin-1-yl)phenyl]piperidin-1-yl]-2-cyclopropylquinazolin-6-yl]-methylamino]methanol
CID 130356430
2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine
CID 118617719
2-cyclopropyl-6-fluoro-7-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
CID 90237473
4-[4-[2-(azetidin-1-yl)phenyl]piperazin-1-yl]-2-cyclopropylquinazolin-6-amine
CID 155283631
2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylquinazoline;ethane
CID 144986165
2-[1-[6-(1-amino-3-methoxypropyl)-2-cyclopropylquinazolin-4-yl]piperidin-4-yl]-N,N-dimethylaniline
CID 130339683
2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetaldehyde
CID 144986141
2-[[2-cyclopropyl-4-[4-(4-fluoro-2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
CID 118610435
2-cyclopropyl-4-[4-(2-methoxycyclopentyl)piperazin-1-yl]-N-methyl-N-propylquinazolin-6-amine
CID 118610329
4-[4-(2-bromophenyl)piperazin-1-yl]-2-cyclopropyl-N,N-dimethylquinazolin-6-amine
CID 90248895
1-(2-cyclopropylphenyl)pyrrolidine
CID 155600422

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(azetidin-1-yl)phenyl]piperidin-1-yl]-2-cyclopropyl-7-fluoro-N-methyl-N-propylquinazolin-6-amine;ethane?
The IUPAC name of 4-[4-[2-(azetidin-1-yl)phenyl]piperidin-1-yl]-2-cyclopropyl-7-fluoro-N-methyl-N-propylquinazolin-6-amine;ethane (CID 144986132) is 4-[4-[2-(azetidin-1-yl)phenyl]piperidin-1-yl]-2-cyclopropyl-7-fluoro-N-methyl-N-propylquinazolin-6-amine;ethane.
What is the SMILES notation for 4-[4-[2-(azetidin-1-yl)phenyl]piperidin-1-yl]-2-cyclopropyl-7-fluoro-N-methyl-N-propylquinazolin-6-amine;ethane?
The canonical SMILES for 4-[4-[2-(azetidin-1-yl)phenyl]piperidin-1-yl]-2-cyclopropyl-7-fluoro-N-methyl-N-propylquinazolin-6-amine;ethane is CC.CCCN(C)c1cc2c(N3CCC(c4ccccc4N4CCC4)CC3)nc(C3CC3)nc2cc1F.
What is the InChIKey of 4-[4-[2-(azetidin-1-yl)phenyl]piperidin-1-yl]-2-cyclopropyl-7-fluoro-N-methyl-N-propylquinazolin-6-amine;ethane?
The InChIKey is RJGIMTZLDQUFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36FN5.C2H6/c1-3-13-33(2)27-18-23-25(19-24(27)30)31-28(21-9-10-21)32-29(23)35-16-11-20(12-17-35)22-7-4-5-8-26(22)34-14-6-15-34;1-2/h4-5,7-8,18-21H,3,6,9-17H2,1-2H3;1-2H3.
What are the key properties of 4-[4-[2-(azetidin-1-yl)phenyl]piperidin-1-yl]-2-cyclopropyl-7-fluoro-N-methyl-N-propylquinazolin-6-amine;ethane?
4-[4-[2-(azetidin-1-yl)phenyl]piperidin-1-yl]-2-cyclopropyl-7-fluoro-N-methyl-N-propylquinazolin-6-amine;ethane has a molecular weight of 503.71 g/mol, XLogP of 7.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(azetidin-1-yl)phenyl]piperidin-1-yl]-2-cyclopropyl-7-fluoro-N-methyl-N-propylquinazolin-6-amine;ethane is sourced from PubChem (CID 144986132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).