6-bromo-N-[(2-phenyloxolan-3-yl)methyl]quinazolin-4-amine

C19H18BrN3O — CID 133353341

IUPAC6-bromo-N-[(2-phenyloxolan-3-yl)methyl]quinazolin-4-amine
SMILESBrc1ccc2ncnc(NCC3CCOC3c3ccccc3)c2c1
InChIInChI=1S/C19H18BrN3O/c20-15-6-7-17-16(10-15)19(23-12-22-17)21-11-14-8-9-24-18(14)13-4-2-1-3-5-13/h1-7,10,12,14,18H,8-9,11H2,(H,21,22,23)
InChIKeyLQEYMNSZCVPINF-UHFFFAOYSA-N
MW384.28 g/mol
LogP4.58
Rot. Bonds4

About 6-bromo-N-[(2-phenyloxolan-3-yl)methyl]quinazolin-4-amine

6-bromo-N-[(2-phenyloxolan-3-yl)methyl]quinazolin-4-amine (PubChem CID 133353341) has the molecular formula C19H18BrN3O and a molecular weight of 384.28 g/mol. Its IUPAC name is 6-bromo-N-[(2-phenyloxolan-3-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[(2-phenyloxolan-3-yl)methyl]quinazolin-4-amine
PubChem CID133353341
Molecular FormulaC19H18BrN3O
Molecular Weight384.28 g/mol
Exact Mass383.06
IUPAC Name6-bromo-N-[(2-phenyloxolan-3-yl)methyl]quinazolin-4-amine
SMILESBrc1ccc2ncnc(NCC3CCOC3c3ccccc3)c2c1
InChIInChI=1S/C19H18BrN3O/c20-15-6-7-17-16(10-15)19(23-12-22-17)21-11-14-8-9-24-18(14)13-4-2-1-3-5-13/h1-7,10,12,14,18H,8-9,11H2,(H,21,22,23)
InChIKeyLQEYMNSZCVPINF-UHFFFAOYSA-N
XLogP4.58
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-[(1-phenylpyrrolidin-3-yl)methyl]quinazolin-4-amine
CID 87021035
6-bromo-N-[(1,1-dioxothietan-3-yl)methyl]quinazolin-4-amine
CID 154763470
N-[(2-phenyloxolan-3-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 133353313
6-bromo-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 21002502
2-methyl-N-[(2-phenyloxolan-3-yl)methyl]quinolin-4-amine
CID 133353384
6-chloro-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile
CID 133353488
6-bromo-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinazolin-4-amine
CID 133459268
6-bromo-N-(1,4-dithian-2-ylmethyl)quinazolin-4-amine
CID 133348873
2-[(6-bromoquinazolin-4-yl)amino]acetic acid;hydrochloride
CID 18590558
N-(6-bromoquinazolin-4-yl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 133277817
6-bromo-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 728957
6-bromo-N-[2-(cyclopropylmethoxy)ethyl]quinazolin-4-amine
CID 86900440

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(2-phenyloxolan-3-yl)methyl]quinazolin-4-amine?
The IUPAC name of 6-bromo-N-[(2-phenyloxolan-3-yl)methyl]quinazolin-4-amine (CID 133353341) is 6-bromo-N-[(2-phenyloxolan-3-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-[(2-phenyloxolan-3-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-[(2-phenyloxolan-3-yl)methyl]quinazolin-4-amine is Brc1ccc2ncnc(NCC3CCOC3c3ccccc3)c2c1.
What is the InChIKey of 6-bromo-N-[(2-phenyloxolan-3-yl)methyl]quinazolin-4-amine?
The InChIKey is LQEYMNSZCVPINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O/c20-15-6-7-17-16(10-15)19(23-12-22-17)21-11-14-8-9-24-18(14)13-4-2-1-3-5-13/h1-7,10,12,14,18H,8-9,11H2,(H,21,22,23).
What are the key properties of 6-bromo-N-[(2-phenyloxolan-3-yl)methyl]quinazolin-4-amine?
6-bromo-N-[(2-phenyloxolan-3-yl)methyl]quinazolin-4-amine has a molecular weight of 384.28 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(2-phenyloxolan-3-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 133353341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).