N-benzyl-6-chloro-2-(imidazol-1-ylmethyl)quinazolin-4-amine;dihydrochloride

C19H18Cl3N5 — CID 19392239

IUPACN-benzyl-6-chloro-2-(imidazol-1-ylmethyl)quinazolin-4-amine;dihydrochloride
SMILESCl.Cl.Clc1ccc2nc(Cn3ccnc3)nc(NCc3ccccc3)c2c1
InChIInChI=1S/C19H16ClN5.2ClH/c20-15-6-7-17-16(10-15)19(22-11-14-4-2-1-3-5-14)24-18(23-17)12-25-9-8-21-13-25;;/h1-10,13H,11-12H2,(H,22,23,24);2*1H
InChIKeyMBSRMXMNLKNTBH-UHFFFAOYSA-N
MW422.75 g/mol
LogP4.98
Rot. Bonds5

About N-benzyl-6-chloro-2-(imidazol-1-ylmethyl)quinazolin-4-amine;dihydrochloride

N-benzyl-6-chloro-2-(imidazol-1-ylmethyl)quinazolin-4-amine;dihydrochloride (PubChem CID 19392239) has the molecular formula C19H18Cl3N5 and a molecular weight of 422.75 g/mol. Its IUPAC name is N-benzyl-6-chloro-2-(imidazol-1-ylmethyl)quinazolin-4-amine;dihydrochloride.

Molecular Properties

Compound NameN-benzyl-6-chloro-2-(imidazol-1-ylmethyl)quinazolin-4-amine;dihydrochloride
PubChem CID19392239
Molecular FormulaC19H18Cl3N5
Molecular Weight422.75 g/mol
Exact Mass421.06
IUPAC NameN-benzyl-6-chloro-2-(imidazol-1-ylmethyl)quinazolin-4-amine;dihydrochloride
SMILESCl.Cl.Clc1ccc2nc(Cn3ccnc3)nc(NCc3ccccc3)c2c1
InChIInChI=1S/C19H16ClN5.2ClH/c20-15-6-7-17-16(10-15)19(22-11-14-4-2-1-3-5-14)24-18(23-17)12-25-9-8-21-13-25;;/h1-10,13H,11-12H2,(H,22,23,24);2*1H
InChIKeyMBSRMXMNLKNTBH-UHFFFAOYSA-N
XLogP4.98
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.75
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-chloro-2-(imidazol-1-ylmethyl)quinazolin-4-amine;dihydrochloride?
The IUPAC name of N-benzyl-6-chloro-2-(imidazol-1-ylmethyl)quinazolin-4-amine;dihydrochloride (CID 19392239) is N-benzyl-6-chloro-2-(imidazol-1-ylmethyl)quinazolin-4-amine;dihydrochloride.
What is the SMILES notation for N-benzyl-6-chloro-2-(imidazol-1-ylmethyl)quinazolin-4-amine;dihydrochloride?
The canonical SMILES for N-benzyl-6-chloro-2-(imidazol-1-ylmethyl)quinazolin-4-amine;dihydrochloride is Cl.Cl.Clc1ccc2nc(Cn3ccnc3)nc(NCc3ccccc3)c2c1.
What is the InChIKey of N-benzyl-6-chloro-2-(imidazol-1-ylmethyl)quinazolin-4-amine;dihydrochloride?
The InChIKey is MBSRMXMNLKNTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5.2ClH/c20-15-6-7-17-16(10-15)19(22-11-14-4-2-1-3-5-14)24-18(23-17)12-25-9-8-21-13-25;;/h1-10,13H,11-12H2,(H,22,23,24);2*1H.
What are the key properties of N-benzyl-6-chloro-2-(imidazol-1-ylmethyl)quinazolin-4-amine;dihydrochloride?
N-benzyl-6-chloro-2-(imidazol-1-ylmethyl)quinazolin-4-amine;dihydrochloride has a molecular weight of 422.75 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-chloro-2-(imidazol-1-ylmethyl)quinazolin-4-amine;dihydrochloride is sourced from PubChem (CID 19392239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).