5-chloro-N-(3-chlorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine

C19H18Cl2N4O — CID 91357212

IUPAC5-chloro-N-(3-chlorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine
SMILESClc1cccc(Nc2ncc3c(Cl)ccc(OC4CCNCC4)c3n2)c1
InChIInChI=1S/C19H18Cl2N4O/c20-12-2-1-3-13(10-12)24-19-23-11-15-16(21)4-5-17(18(15)25-19)26-14-6-8-22-9-7-14/h1-5,10-11,14,22H,6-9H2,(H,23,24,25)
InChIKeyFDEMWJTXEVZLKK-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.81
Rot. Bonds4

About 5-chloro-N-(3-chlorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine

5-chloro-N-(3-chlorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine (PubChem CID 91357212) has the molecular formula C19H18Cl2N4O and a molecular weight of 389.29 g/mol. Its IUPAC name is 5-chloro-N-(3-chlorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3-chlorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine
PubChem CID91357212
Molecular FormulaC19H18Cl2N4O
Molecular Weight389.29 g/mol
Exact Mass388.09
IUPAC Name5-chloro-N-(3-chlorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine
SMILESClc1cccc(Nc2ncc3c(Cl)ccc(OC4CCNCC4)c3n2)c1
InChIInChI=1S/C19H18Cl2N4O/c20-12-2-1-3-13(10-12)24-19-23-11-15-16(21)4-5-17(18(15)25-19)26-14-6-8-22-9-7-14/h1-5,10-11,14,22H,6-9H2,(H,23,24,25)
InChIKeyFDEMWJTXEVZLKK-UHFFFAOYSA-N
XLogP4.81
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-(6-Chloropyrimidin-4-yl)oxyquinoline
CID 57600071
8-(3-Dimethylaminopropoxy)-2-[(2-methylphenyl)amino]-4-(N-methylphenylamino)quinazoline
CID 10003444
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 24737854
8-(3,5-Dichloro-pyridin-4-ylmethoxy)-4-imidazol-1-yl-2-methyl-quinoline
CID 44191138
8-(3,5-Dichloro-pyridin-4-ylmethoxy)-2-methyl-4-(2-methyl-imidazol-1-yl)-quinoline
CID 44191220
N-(3-chloro-4-methylphenyl)-6-methoxy-7-(morpholin-2-ylmethoxy)quinazolin-4-amine
CID 70946730
2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 117826054
2-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 117827310
N-(3-chlorophenyl)-6-methoxy-7-(morpholin-2-ylmethoxy)quinazolin-4-amine
CID 118710446
1-[6-[(2-Chlorophenyl)methoxy]quinazolin-7-yl]-3-(3,4-dichlorophenyl)urea
CID 122195814
5-Chloro-8-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)quinoline
CID 2997964
2-(3-Chlorophenyl)-1-[3-[(7-chloro-4-quinolyl)amino]propyl]-3-[2-(4-methoxyphenoxy)phenyl]guanidine
CID 86580165

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-chlorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine?
The IUPAC name of 5-chloro-N-(3-chlorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine (CID 91357212) is 5-chloro-N-(3-chlorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine.
What is the SMILES notation for 5-chloro-N-(3-chlorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine?
The canonical SMILES for 5-chloro-N-(3-chlorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine is Clc1cccc(Nc2ncc3c(Cl)ccc(OC4CCNCC4)c3n2)c1.
What is the InChIKey of 5-chloro-N-(3-chlorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine?
The InChIKey is FDEMWJTXEVZLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O/c20-12-2-1-3-13(10-12)24-19-23-11-15-16(21)4-5-17(18(15)25-19)26-14-6-8-22-9-7-14/h1-5,10-11,14,22H,6-9H2,(H,23,24,25).
What are the key properties of 5-chloro-N-(3-chlorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine?
5-chloro-N-(3-chlorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine has a molecular weight of 389.29 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-chlorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine is sourced from PubChem (CID 91357212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).