benzyl N-[[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]carbamate

C24H29N5O2 — CID 68847693

IUPACbenzyl N-[[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]carbamate
SMILESCNc1nc(NC2CCC(CNC(=O)OCc3ccccc3)CC2)nc2ccccc12
InChIInChI=1S/C24H29N5O2/c1-25-22-20-9-5-6-10-21(20)28-23(29-22)27-19-13-11-17(12-14-19)15-26-24(30)31-16-18-7-3-2-4-8-18/h2-10,17,19H,11-16H2,1H3,(H,26,30)(H2,25,27,28,29)
InChIKeyLPHJQLIDKBWGHQ-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.57
Rot. Bonds7

About benzyl N-[[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]carbamate

benzyl N-[[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]carbamate (PubChem CID 68847693) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is benzyl N-[[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]carbamate
PubChem CID68847693
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Namebenzyl N-[[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]carbamate
SMILESCNc1nc(NC2CCC(CNC(=O)OCc3ccccc3)CC2)nc2ccccc12
InChIInChI=1S/C24H29N5O2/c1-25-22-20-9-5-6-10-21(20)28-23(29-22)27-19-13-11-17(12-14-19)15-26-24(30)31-16-18-7-3-2-4-8-18/h2-10,17,19H,11-16H2,1H3,(H,26,30)(H2,25,27,28,29)
InChIKeyLPHJQLIDKBWGHQ-UHFFFAOYSA-N
XLogP4.57
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-[2-[4-[(4-methylquinazolin-2-yl)amino]cyclohexyl]ethyl]carbamate
CID 70995747
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
N-[[4-[(4-anilinoquinazolin-2-yl)amino]cyclohexyl]methyl]-2-methoxyacetamide
CID 54187986
benzyl N-[(4-aminocyclohexyl)methyl]carbamate
CID 59845659
benzyl 4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxylate
CID 68886825
benzyl N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]carbamate
CID 124634239
N-[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(trifluoromethoxy)benzamide;hydrochloride
CID 68847131
benzyl N-(spiro[2.5]octan-6-ylmethyl)carbamate
CID 71243330
1-(cyclohexylmethyl)-3-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]thiourea
CID 87612122
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]nonanamide
CID 142230266
1-benzhydryl-3-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]urea
CID 69473453
benzyl N-(oxetan-3-ylmethyl)carbamate
CID 155920910

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]carbamate?
The IUPAC name of benzyl N-[[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]carbamate (CID 68847693) is benzyl N-[[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]carbamate?
The canonical SMILES for benzyl N-[[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]carbamate is CNc1nc(NC2CCC(CNC(=O)OCc3ccccc3)CC2)nc2ccccc12.
What is the InChIKey of benzyl N-[[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]carbamate?
The InChIKey is LPHJQLIDKBWGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-25-22-20-9-5-6-10-21(20)28-23(29-22)27-19-13-11-17(12-14-19)15-26-24(30)31-16-18-7-3-2-4-8-18/h2-10,17,19H,11-16H2,1H3,(H,26,30)(H2,25,27,28,29).
What are the key properties of benzyl N-[[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]carbamate?
benzyl N-[[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]carbamate has a molecular weight of 419.53 g/mol, XLogP of 4.57, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]carbamate is sourced from PubChem (CID 68847693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).