4-[4-[2-(dimethylamino)ethylamino]quinazolin-2-yl]phenol

C18H20N4O — CID 136932675

IUPAC4-[4-[2-(dimethylamino)ethylamino]quinazolin-2-yl]phenol
SMILESCN(C)CCNc1nc(-c2ccc(O)cc2)nc2ccccc12
InChIInChI=1S/C18H20N4O/c1-22(2)12-11-19-18-15-5-3-4-6-16(15)20-17(21-18)13-7-9-14(23)10-8-13/h3-10,23H,11-12H2,1-2H3,(H,19,20,21)
InChIKeySHGMQGHECVIBJV-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.98
Rot. Bonds5

About 4-[4-[2-(dimethylamino)ethylamino]quinazolin-2-yl]phenol

4-[4-[2-(dimethylamino)ethylamino]quinazolin-2-yl]phenol (PubChem CID 136932675) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 4-[4-[2-(dimethylamino)ethylamino]quinazolin-2-yl]phenol.

Molecular Properties

Compound Name4-[4-[2-(dimethylamino)ethylamino]quinazolin-2-yl]phenol
PubChem CID136932675
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name4-[4-[2-(dimethylamino)ethylamino]quinazolin-2-yl]phenol
SMILESCN(C)CCNc1nc(-c2ccc(O)cc2)nc2ccccc12
InChIInChI=1S/C18H20N4O/c1-22(2)12-11-19-18-15-5-3-4-6-16(15)20-17(21-18)13-7-9-14(23)10-8-13/h3-10,23H,11-12H2,1-2H3,(H,19,20,21)
InChIKeySHGMQGHECVIBJV-UHFFFAOYSA-N
XLogP2.98
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
CP-31398
CID 9950868
2-(4-(Benzylamino)quinazolin-2-yl)phenol
CID 915456
2-{4-[(3s)-Pyrrolidin-3-Ylamino]quinazolin-2-Yl}phenol
CID 135566381
N4-[2-(4-methoxyphenyl)ethyl]quinazoline-4,6-diamine
CID 509547
3-[(2-Phenylquinazolin-4-yl)amino]phenol
CID 693197
4-[(2-Phenyl-4-quinazolinyl)amino]phenol
CID 693198
2-{4-[(Pyridin-3-ylmethyl)-amino]-quinazolin-2-yl}-phenol
CID 935994
4-[[2-(2-Fluorophenyl)quinazolin-4-yl]amino]phenol
CID 2174842
2-[4-(1-Pyrrolidinyl)-2-quinazolinyl]phenol
CID 781262
3-(4-((Tetrahydrofuran-2-Yl)Methylamino)Quinazolin-2-Ylamino)Phenol
CID 644989
4-[4-(Tert-butylamino)-2-(trifluoromethyl)quinazolin-6-yl]phenol
CID 5330925

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(dimethylamino)ethylamino]quinazolin-2-yl]phenol?
The IUPAC name of 4-[4-[2-(dimethylamino)ethylamino]quinazolin-2-yl]phenol (CID 136932675) is 4-[4-[2-(dimethylamino)ethylamino]quinazolin-2-yl]phenol.
What is the SMILES notation for 4-[4-[2-(dimethylamino)ethylamino]quinazolin-2-yl]phenol?
The canonical SMILES for 4-[4-[2-(dimethylamino)ethylamino]quinazolin-2-yl]phenol is CN(C)CCNc1nc(-c2ccc(O)cc2)nc2ccccc12.
What is the InChIKey of 4-[4-[2-(dimethylamino)ethylamino]quinazolin-2-yl]phenol?
The InChIKey is SHGMQGHECVIBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-22(2)12-11-19-18-15-5-3-4-6-16(15)20-17(21-18)13-7-9-14(23)10-8-13/h3-10,23H,11-12H2,1-2H3,(H,19,20,21).
What are the key properties of 4-[4-[2-(dimethylamino)ethylamino]quinazolin-2-yl]phenol?
4-[4-[2-(dimethylamino)ethylamino]quinazolin-2-yl]phenol has a molecular weight of 308.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(dimethylamino)ethylamino]quinazolin-2-yl]phenol is sourced from PubChem (CID 136932675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).