2-[4-[[4-(methylamino)cyclohexyl]amino]quinazolin-2-yl]phenol

C21H24N4O — CID 143796174

IUPAC2-[4-[[4-(methylamino)cyclohexyl]amino]quinazolin-2-yl]phenol
SMILESCNC1CCC(Nc2nc(-c3ccccc3O)nc3ccccc23)CC1
InChIInChI=1S/C21H24N4O/c1-22-14-10-12-15(13-11-14)23-20-16-6-2-4-8-18(16)24-21(25-20)17-7-3-5-9-19(17)26/h2-9,14-15,22,26H,10-13H2,1H3,(H,23,24,25)
InChIKeyLDUBELJNNVWRBT-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.94
Rot. Bonds4

About 2-[4-[[4-(methylamino)cyclohexyl]amino]quinazolin-2-yl]phenol

2-[4-[[4-(methylamino)cyclohexyl]amino]quinazolin-2-yl]phenol (PubChem CID 143796174) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[4-[[4-(methylamino)cyclohexyl]amino]quinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[[4-(methylamino)cyclohexyl]amino]quinazolin-2-yl]phenol
PubChem CID143796174
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-[4-[[4-(methylamino)cyclohexyl]amino]quinazolin-2-yl]phenol
SMILESCNC1CCC(Nc2nc(-c3ccccc3O)nc3ccccc23)CC1
InChIInChI=1S/C21H24N4O/c1-22-14-10-12-15(13-11-14)23-20-16-6-2-4-8-18(16)24-21(25-20)17-7-3-5-9-19(17)26/h2-9,14-15,22,26H,10-13H2,1H3,(H,23,24,25)
InChIKeyLDUBELJNNVWRBT-UHFFFAOYSA-N
XLogP3.94
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(methylamino)cyclohexyl]amino]quinazolin-2-yl]phenol?
The IUPAC name of 2-[4-[[4-(methylamino)cyclohexyl]amino]quinazolin-2-yl]phenol (CID 143796174) is 2-[4-[[4-(methylamino)cyclohexyl]amino]quinazolin-2-yl]phenol.
What is the SMILES notation for 2-[4-[[4-(methylamino)cyclohexyl]amino]quinazolin-2-yl]phenol?
The canonical SMILES for 2-[4-[[4-(methylamino)cyclohexyl]amino]quinazolin-2-yl]phenol is CNC1CCC(Nc2nc(-c3ccccc3O)nc3ccccc23)CC1.
What is the InChIKey of 2-[4-[[4-(methylamino)cyclohexyl]amino]quinazolin-2-yl]phenol?
The InChIKey is LDUBELJNNVWRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-22-14-10-12-15(13-11-14)23-20-16-6-2-4-8-18(16)24-21(25-20)17-7-3-5-9-19(17)26/h2-9,14-15,22,26H,10-13H2,1H3,(H,23,24,25).
What are the key properties of 2-[4-[[4-(methylamino)cyclohexyl]amino]quinazolin-2-yl]phenol?
2-[4-[[4-(methylamino)cyclohexyl]amino]quinazolin-2-yl]phenol has a molecular weight of 348.45 g/mol, XLogP of 3.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(methylamino)cyclohexyl]amino]quinazolin-2-yl]phenol is sourced from PubChem (CID 143796174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).