4-chloro-N-(cyclopropylmethyl)-N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]aniline

C24H26ClFN4 — CID 123784817

IUPAC4-chloro-N-(cyclopropylmethyl)-N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]aniline
SMILESFc1ccc2ncnc(N3CCC(CN(CC4CC4)c4ccc(Cl)cc4)CC3)c2c1
InChIInChI=1S/C24H26ClFN4/c25-19-3-6-21(7-4-19)30(14-17-1-2-17)15-18-9-11-29(12-10-18)24-22-13-20(26)5-8-23(22)27-16-28-24/h3-8,13,16-18H,1-2,9-12,14-15H2
InChIKeyUYMCYDXLRCJGJK-UHFFFAOYSA-N
MW424.95 g/mol
LogP5.56
Rot. Bonds6

About 4-chloro-N-(cyclopropylmethyl)-N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]aniline

4-chloro-N-(cyclopropylmethyl)-N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]aniline (PubChem CID 123784817) has the molecular formula C24H26ClFN4 and a molecular weight of 424.95 g/mol. Its IUPAC name is 4-chloro-N-(cyclopropylmethyl)-N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-(cyclopropylmethyl)-N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]aniline
PubChem CID123784817
Molecular FormulaC24H26ClFN4
Molecular Weight424.95 g/mol
Exact Mass424.18
IUPAC Name4-chloro-N-(cyclopropylmethyl)-N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]aniline
SMILESFc1ccc2ncnc(N3CCC(CN(CC4CC4)c4ccc(Cl)cc4)CC3)c2c1
InChIInChI=1S/C24H26ClFN4/c25-19-3-6-21(7-4-19)30(14-17-1-2-17)15-18-9-11-29(12-10-18)24-22-13-20(26)5-8-23(22)27-16-28-24/h3-8,13,16-18H,1-2,9-12,14-15H2
InChIKeyUYMCYDXLRCJGJK-UHFFFAOYSA-N
XLogP5.56
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.95
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-(cyclopropylmethyl)-N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]aniline with MolForge

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Related Compounds

6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline
CID 172882648
1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid
CID 71563722
N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N-methylpyridin-2-amine
CID 155976434
6-fluoro-4-(4-pyridin-4-ylpiperidin-1-yl)quinazoline
CID 126810422
N-ethyl-6-fluoro-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]quinazolin-4-amine
CID 133428174
6-fluoro-4-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]quinazoline
CID 133331936
6-fluoro-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline
CID 133300706
4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-fluoroquinazoline
CID 78901448
N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887875
5-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrazolidin-3-amine
CID 133429304
4-(4-ethylpiperidin-1-yl)quinazolin-6-amine
CID 64589288
3-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942420

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclopropylmethyl)-N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]aniline?
The IUPAC name of 4-chloro-N-(cyclopropylmethyl)-N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]aniline (CID 123784817) is 4-chloro-N-(cyclopropylmethyl)-N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]aniline.
What is the SMILES notation for 4-chloro-N-(cyclopropylmethyl)-N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]aniline?
The canonical SMILES for 4-chloro-N-(cyclopropylmethyl)-N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]aniline is Fc1ccc2ncnc(N3CCC(CN(CC4CC4)c4ccc(Cl)cc4)CC3)c2c1.
What is the InChIKey of 4-chloro-N-(cyclopropylmethyl)-N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]aniline?
The InChIKey is UYMCYDXLRCJGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN4/c25-19-3-6-21(7-4-19)30(14-17-1-2-17)15-18-9-11-29(12-10-18)24-22-13-20(26)5-8-23(22)27-16-28-24/h3-8,13,16-18H,1-2,9-12,14-15H2.
What are the key properties of 4-chloro-N-(cyclopropylmethyl)-N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]aniline?
4-chloro-N-(cyclopropylmethyl)-N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]aniline has a molecular weight of 424.95 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclopropylmethyl)-N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]aniline is sourced from PubChem (CID 123784817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).