4-(4-chlorophenyl)-2-[4-(piperidin-1-ylmethyl)cyclohexyl]-1,3-dihydroquinazoline-2,4-diamine

C26H36ClN5 — CID 139925390

IUPAC4-(4-chlorophenyl)-2-[4-(piperidin-1-ylmethyl)cyclohexyl]-1,3-dihydroquinazoline-2,4-diamine
SMILESNC1(c2ccc(Cl)cc2)NC(N)(C2CCC(CN3CCCCC3)CC2)Nc2ccccc21
InChIInChI=1S/C26H36ClN5/c27-22-14-12-20(13-15-22)25(28)23-6-2-3-7-24(23)30-26(29,31-25)21-10-8-19(9-11-21)18-32-16-4-1-5-17-32/h2-3,6-7,12-15,19,21,30-31H,1,4-5,8-11,16-18,28-29H2
InChIKeyWEQQTKMFKDSPOZ-UHFFFAOYSA-N
MW454.06 g/mol
LogP4.42
Rot. Bonds4

About 4-(4-chlorophenyl)-2-[4-(piperidin-1-ylmethyl)cyclohexyl]-1,3-dihydroquinazoline-2,4-diamine

4-(4-chlorophenyl)-2-[4-(piperidin-1-ylmethyl)cyclohexyl]-1,3-dihydroquinazoline-2,4-diamine (PubChem CID 139925390) has the molecular formula C26H36ClN5 and a molecular weight of 454.06 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[4-(piperidin-1-ylmethyl)cyclohexyl]-1,3-dihydroquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[4-(piperidin-1-ylmethyl)cyclohexyl]-1,3-dihydroquinazoline-2,4-diamine
PubChem CID139925390
Molecular FormulaC26H36ClN5
Molecular Weight454.06 g/mol
Exact Mass453.27
IUPAC Name4-(4-chlorophenyl)-2-[4-(piperidin-1-ylmethyl)cyclohexyl]-1,3-dihydroquinazoline-2,4-diamine
SMILESNC1(c2ccc(Cl)cc2)NC(N)(C2CCC(CN3CCCCC3)CC2)Nc2ccccc21
InChIInChI=1S/C26H36ClN5/c27-22-14-12-20(13-15-22)25(28)23-6-2-3-7-24(23)30-26(29,31-25)21-10-8-19(9-11-21)18-32-16-4-1-5-17-32/h2-3,6-7,12-15,19,21,30-31H,1,4-5,8-11,16-18,28-29H2
InChIKeyWEQQTKMFKDSPOZ-UHFFFAOYSA-N
XLogP4.42
TPSA79.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.06
LogP ≤ 54.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1'-(cyclohexylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 134788957
4-(4-chlorophenyl)-1-(cyclopentylmethyl)piperidine-4-carbonitrile
CID 146458821
4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclohexan-1-amine
CID 60849989
1'-(cyclohexylmethyl)-2-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]
CID 121359802
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 122571565
[1-(4-chlorophenyl)cyclobutyl]-[3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]piperidin-1-yl]methanone
CID 11477295
4-[(4-chlorophenoxy)methyl]-1-(cyclopropylmethyl)piperidine
CID 10381019
2-[4-(cyclohexylmethyl)piperazin-1-yl]aniline
CID 28800779
[(2S)-1-methylpiperidin-2-yl]methyl 1-(4-chlorophenyl)cyclohexane-1-carboxylate
CID 46213642
(3S)-1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-(phenoxymethyl)piperidine
CID 58998520
1-[4-(azetidin-1-ylmethyl)piperidin-1-yl]-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one
CID 58415443
CID 134793742
CID 134793742

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[4-(piperidin-1-ylmethyl)cyclohexyl]-1,3-dihydroquinazoline-2,4-diamine?
The IUPAC name of 4-(4-chlorophenyl)-2-[4-(piperidin-1-ylmethyl)cyclohexyl]-1,3-dihydroquinazoline-2,4-diamine (CID 139925390) is 4-(4-chlorophenyl)-2-[4-(piperidin-1-ylmethyl)cyclohexyl]-1,3-dihydroquinazoline-2,4-diamine.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[4-(piperidin-1-ylmethyl)cyclohexyl]-1,3-dihydroquinazoline-2,4-diamine?
The canonical SMILES for 4-(4-chlorophenyl)-2-[4-(piperidin-1-ylmethyl)cyclohexyl]-1,3-dihydroquinazoline-2,4-diamine is NC1(c2ccc(Cl)cc2)NC(N)(C2CCC(CN3CCCCC3)CC2)Nc2ccccc21.
What is the InChIKey of 4-(4-chlorophenyl)-2-[4-(piperidin-1-ylmethyl)cyclohexyl]-1,3-dihydroquinazoline-2,4-diamine?
The InChIKey is WEQQTKMFKDSPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36ClN5/c27-22-14-12-20(13-15-22)25(28)23-6-2-3-7-24(23)30-26(29,31-25)21-10-8-19(9-11-21)18-32-16-4-1-5-17-32/h2-3,6-7,12-15,19,21,30-31H,1,4-5,8-11,16-18,28-29H2.
What are the key properties of 4-(4-chlorophenyl)-2-[4-(piperidin-1-ylmethyl)cyclohexyl]-1,3-dihydroquinazoline-2,4-diamine?
4-(4-chlorophenyl)-2-[4-(piperidin-1-ylmethyl)cyclohexyl]-1,3-dihydroquinazoline-2,4-diamine has a molecular weight of 454.06 g/mol, XLogP of 4.42, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[4-(piperidin-1-ylmethyl)cyclohexyl]-1,3-dihydroquinazoline-2,4-diamine is sourced from PubChem (CID 139925390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).