1-[[1-(7-chloroquinazolin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea

C22H24ClN5O — CID 86882662

IUPAC1-[[1-(7-chloroquinazolin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCC2CCCN(c3ncnc4cc(Cl)ccc34)C2)cc1
InChIInChI=1S/C22H24ClN5O/c1-15-4-7-18(8-5-15)27-22(29)24-12-16-3-2-10-28(13-16)21-19-9-6-17(23)11-20(19)25-14-26-21/h4-9,11,14,16H,2-3,10,12-13H2,1H3,(H2,24,27,29)
InChIKeyNDCVSISJOBJZQY-UHFFFAOYSA-N
MW409.92 g/mol
LogP4.63
Rot. Bonds4

About 1-[[1-(7-chloroquinazolin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea

1-[[1-(7-chloroquinazolin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea (PubChem CID 86882662) has the molecular formula C22H24ClN5O and a molecular weight of 409.92 g/mol. Its IUPAC name is 1-[[1-(7-chloroquinazolin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[[1-(7-chloroquinazolin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea
PubChem CID86882662
Molecular FormulaC22H24ClN5O
Molecular Weight409.92 g/mol
Exact Mass409.17
IUPAC Name1-[[1-(7-chloroquinazolin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCC2CCCN(c3ncnc4cc(Cl)ccc34)C2)cc1
InChIInChI=1S/C22H24ClN5O/c1-15-4-7-18(8-5-15)27-22(29)24-12-16-3-2-10-28(13-16)21-19-9-6-17(23)11-20(19)25-14-26-21/h4-9,11,14,16H,2-3,10,12-13H2,1H3,(H2,24,27,29)
InChIKeyNDCVSISJOBJZQY-UHFFFAOYSA-N
XLogP4.63
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-3-[[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methyl]urea
CID 124559977
7-chloro-4-[3-(ethoxymethyl)piperidin-1-yl]quinazoline
CID 86949423
1-(7-chloroquinazolin-4-yl)-N,N-dimethylpiperidin-3-amine
CID 86885508
1-(4-methylphenyl)-3-[[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-3-yl]methyl]urea
CID 51134808
1-[4-(7-chloroquinazolin-4-yl)-2-methylpiperazin-1-yl]propan-1-one
CID 135188333
1-(4-methylphenyl)-3-[[1-(piperidine-4-carbonyl)piperidin-3-yl]methyl]urea
CID 119310828
6-chloro-4-[3-(methylsulfonylmethyl)piperidin-1-yl]quinazoline;6,7-difluoro-4-[3-(methylsulfonylmethyl)piperidin-1-yl]quinazoline;7-fluoro-6-methyl-4-[3-(methylsulfonylmethyl)piperidin-1-yl]quinazoline;6-fluoro-4-[3-(methylsulfonylmethyl)piperidin-1-yl]quinazoline;7-fluoro-4-[3-(methylsulfonylmethyl)piperidin-1-yl]quinazoline;6-methyl-4-[3-(methylsulfonylmethyl)piperidin-1-yl]quinazoline;4-[3-(methylsulfonylmethyl)piperidin-1-yl]quinazoline
CID 160785951
1-[[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea
CID 133294107
N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]ethanamine
CID 62593559
2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol
CID 157402306
1-(4-methylphenyl)-3-[[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]urea
CID 52523350
4-methyl-N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]benzenesulfonamide
CID 142582643

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(7-chloroquinazolin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[[1-(7-chloroquinazolin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea (CID 86882662) is 1-[[1-(7-chloroquinazolin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[[1-(7-chloroquinazolin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[[1-(7-chloroquinazolin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NCC2CCCN(c3ncnc4cc(Cl)ccc34)C2)cc1.
What is the InChIKey of 1-[[1-(7-chloroquinazolin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea?
The InChIKey is NDCVSISJOBJZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O/c1-15-4-7-18(8-5-15)27-22(29)24-12-16-3-2-10-28(13-16)21-19-9-6-17(23)11-20(19)25-14-26-21/h4-9,11,14,16H,2-3,10,12-13H2,1H3,(H2,24,27,29).
What are the key properties of 1-[[1-(7-chloroquinazolin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea?
1-[[1-(7-chloroquinazolin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea has a molecular weight of 409.92 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(7-chloroquinazolin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 86882662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).